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 Oc1cccc(-c2ccoc2C2=CN3CCC2CC3)c1

InChI InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2

InChIKey QOXJSXPGWIRRNX-UHFFFAOYSA-N

Molecular Weight

267.33