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 CCCCCCOc1nccc(Nc2ccccc2C(=O)O)n1

InChI

InChI=1S/C17H21N3O3/c1-2-3-4-7-12-23-17-18-11-10-15(20-17)19-14-9-6-5-8-13(14)16(21)22/h5-6,8-11H,2-4,7,12H2,1H3,(H,21,22)(H,18,19,20)

InChIKey NFMZZJDZXIEKCB-UHFFFAOYSA-N

Molecular Weight

315.37