Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Cc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1

InChI

InChI=1S/C17H21N3O4/c1-11-6-8-12(9-7-11)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)

InChIKey HHOKAWDQPZBUQF-UHFFFAOYSA-N

Molecular Weight

331.37