Generate IUPAC Names for Chemical Structures | Name™ | ACD/Labs (original) (raw)

Name™ Overview

Get Systematic Chemical Names for Structures, and Produce Structures from Names

ACD/Name generates chemical names according to IUPAC rules, converts chemical names to structures, and easily handles challenging areas of nomenclature.

• Generate names for organic; biochemical; and some inorganic, organometallic, and polymer structures
• Convert systematic or trivial names to structures

Benefits

IUPAC Naming at Your Fingertips

Easy to Use

• Name your molecule with one button click

Exhaustive Coverage

• Generate names and structures for a broad array of molecules

Chemically Aware

• Identifies tautomers and stereocenters automatically

Accurate and Up-to-Date Implementation of IUPAC Rules

• Name is updated regularly to support new recommendations.

Deeper Understanding of Nomenclature Rules

• Highlight each fragment of your structure to view the applicable IUPAC rule

Name steroids and other natural parent compounds in accordance with IUPAC recommendations.

Dynamically display the nomenclature rules used to name your structure.

Names for peptide sequences can be represented with one- or three-letter codes for amino acids.

Generate names for branched ring assemblies.

Assign stereodescriptors and numbering to atoms; display a "hierarchical graph" for each stereocenter.

How it Works

Name Molecules with Ease and Accuracy

• 1 Draw or import a structure
• 2 Generate the IUPAC name
• 3 Examine the generated name and references to the IUPAC rule from which the structure was derived

Customer Reviews

“We use ACD/Name daily to verify the nomenclature of submitted manuscripts.”

Richard J. Smith,
Managing Editor, Helvetica Chimica Acta

“ACD/Name was temporarily unavailable for <1 month when we moved to new PCs; more than 50% of patent attorneys noticed and complained during that time.”

Dave Ennis
AstraZeneca

“When compared with other naming software...the quality of names generated from ACD/Name is second-to-none.”

Gernot Eller
Molecules, 11, 915-928, 2006

Product Features

Features of Name

• Chemical Structure to Name

• Chemical Name to Structure

• Naming Supported in 22 Languages

• Draw, copy/paste, or import molecular structures in various formats (including ChemDraw, MOL files, and SMILES)
  See the full list of supported data formats

• Generate accurate systematic names according to IUPAC recommendations

• Produce Index names in accordance with CAS nomenclature rules*

• Generate names for organic, biochemical, inorganic, and organometallic structures, including:

  • Various functional groups, including acids, alcohols, aldehydes, ketones, ethers, peroxides, salts, and more
  • Mono- and polycyclic systems
  • Homogeneous and heterogeneous chains
  • Natural product structures (steroids, alkaloids, terpenes, and carotenes)
  • Carbohydrates (in Haworth and other representations)
  • Amino acids, peptides, and derivatives
  • Radicals and charged structures
  • Some polymers

• Assign stereodescriptors (R/S, E/Z, M/P, r/s, seqCis/seqTrans, α/β, and cis/trans)

• Assign numbering to atoms

• Display a “hierarchical graph” for each stereocenter

• Dynamically display the nomenclature rules used to name your structure

• Import multiple structures from SD files and automatically generate their names

• Export structures and names as SD files

* Index naming algorithms have been developed by ACD/Labs alone and CAS makes no warranty or guarantee about its effectiveness or accuracy. If you require chemical substance names for reporting to regulatory agencies, they should be manually checked or obtained directly from CAS.

• Generate accurate structures from chemical names, including:

  • Systematic, semisystematic and trivial names of organic compounds
  • Natural product structures and derivatives
  • Amino acids and peptides; including three-letter codes for peptides
  • Complex molecules such as carbohydrates and polysaccharides
  • Functional groups, including acids and derivatives, aldehydes, ketones, alcohols, ethers, and more
  • Incorrect names that do not strictly follow Organic Nomenclature rules

• Generate structure from many names and identifiers, including:

  • InChI and SMILES notations
  • CAS Registry and EU numbers
  • Trade and registered names (INN, USAN, BAN, JAN)

• Designate the stereoconfiguration of chiral centers and double bonds

• Generate structure derivatives using trivial and semi-trivial names from Dictionary

• Ambiguous names produce a warning, or generate several possible structures for review

• Generate systematic names in English, French and German

• IUPAC naming is supported in 19 additional languages—Bulgarian, Croatian, Danish, Dutch, Estonian, Finnish, Greek, Hungarian, Italian, Japanese, Latvian, Lithuanian, Polish, Portuguese, Romanian, Russian, Slovenian, Spanish, and Swedish**

  • Differences in spelling, grammar, and order of citation for substituents are taken into account for these language variations

• Set your nomenclature and language preferences

** The development of naming in specific languages is ongoing and, in some instances, the generated name may deviate from local language recommendations. We recommend consulting nomenclature recommendations for your language to ensure accuracy.

Name (Chemist Version)

Quick and simple generation of IUPAC names

For scientists that don’t need the advanced functionality of ACD/Name, we offer ACD/Name (Chemist Version). All versions of Name include ChemSketch. Learn more about ChemSketch.

This software generates IUPAC names from structures, and structures from names; without the advanced functionality, language options, and rule derivations required by nomenclature experts.

See a Feature Comparison of our various Compound Naming software

All prices in USD. Exchange rate fluctuations may occur. If you prefer to purchase in your local currency, please contact us for a quote.

Register with an academic email address to see discounted prices or contact us to discuss your eligibility.

• Subscription License (Maintenance included, billed annually until cancelled) – $475.00

Try It or Buy It

Nomenclature Products Comparison

Need to Name Hundreds or Thousands of Compounds?

For researchers who need to generate names for compound libraries, or process hundreds of structures for compound registration, we offer ACD/Name Batch and ACD/Name to Structure Batch.

• Generate names for thousands of structures in one session
• Select between different languages for generating IUPAC names
• Process text files and databases in SD Format
• Generate InChI identifiers
• Save the generated names to .sdf, .rtf, or .txt files
• Available for Windows or Linus operating systems

ChemSketch is included with Name for all your structure drawing needs.

Start in the ChemSketch interface to draw or import a structure, and quickly generate the IUPAC name for your drawn structure with one button click.

See What Else You Can Do with ChemSketch

IUPAC Nomenclature Rules

The IUPAC Recommendations on the Nomenclature of Organic Chemistry (IUPAC Blue Book)1 provide naming principles for all classes of organic compounds, and continue to evolve.

In 2013, a new version of the IUPAC Blue Book was published, which included a variety of changes and new recommendations to keep pace with the growing complexity of chemical substances.

The most significant change was the concept of “Preferred IUPAC Name” (PIN), established by a hierarchical order of criteria allowing the derivation of a unique systematic name intended for registrations, patents, regulations, etc.

Additionally, this publication included nomenclature principles developed for more complex substances and new classes of compounds such as fullerenes and cyclophanes.

The majority of the updated IUPAC organic nomenclature recommendations have been implemented in ACD/Name v2015 and later. The full text of these recommendations is available in the print version1 and in HTML format2. We hope to make these recommendations available in our ACD/Name software in the future.

Previous published versions of the IUPAC Nomenclature Rules (from 1979 and 1993) are provided electronically on our web site here.

Our Contribution

ACD/Labs is proud of our participation in the development of new organic nomenclature recommendations both via our long membership in the corresponding IUPAC bodies and our contribution of the results of our work in the area of nomenclature. We continue to update our Name software to support these new recommendations.

References

1. Favre, Henri A. and Powell, Warren H. Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Name 2013. Cambridge, UK: The Royal Society of Chemistry, 2013. ISBN 978-0-85404-182-4.
2. Moss, G.P. (2021, June 18). Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Names 2013. https://www.qmul.ac.uk/sbcs/iupac/BlueBook/

What's New!

What's New in Name v2025

• Generate names in Japanese, bringing the total number of supported names to 22

• Generate IUPAC names for cyclic peptides with internal amido groups and disulfide bridges

• Improved support for π-complex search in Spectrus DB

• Expansion of ACD/Dictionary to >183,000 names

Learn More about Name

Nomenclature Products Comparison

| | Name | Name (Chemist Version) | ChemSketch | | | ----------------------------------------------------------- | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | ------------------------------------------ | --------------------------------------------- | | Nomenclature systems | IUPAC, CAS, IUBMB | IUPAC | IUPAC | | Languages | English, French, German | English, French, German | English | | Name-to-Structure capability | Yes | Yes | No | | Other Language Support | 18 other languages (Bulgarian, Croatian, Danish, Dutch, Estonian, Finnish, Greek, Hungarian, Italian, Latvian, Lithuanian, Polish, Portuguese, Romanian, Russian, Slovenian, Spanish, and Swedish*) | 18 other languages (1 selection permitted) | No | | Maximum number of atoms per molecule | 1024 (excluding H) | 1024 (excluding H) | 50 (including H) | | Elements and metal cations | All elements except noble gases | All elements except noble gases | H, C, N, P, O, S, F, Cl, Br, I, Li, Na, and K | | Maximum number of rings per cyclic fragment | 20 | 20 | 3 | | Import/export *.sdf files | Yes, up to 99 structures at once | Yes | Yes | | Link to IUPAC Rules and explanations of name derivation | Yes | No | No | | Maximum number of characters per name | Unlimited | Unlimited | 100 characters |

* The development of naming in specific languages is ongoing and, in some instances, the generated name may deviate from local language recommendations. We recommend consulting nomenclature recommendations for your language to ensure accuracy.

Supported File Formats

Add to Cart

All prices in USD. Exchange rate fluctuations may occur. If you prefer to purchase in your local currency, please contact us for a quote.
View the System Requirements before purchasing.

Use your academic institute email address and coupon code ACADEMIC during checkout to see discounted prices, or contact us to discuss your eligibility.