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 COc1ccccc1CCCCNCCOc1cc(F)cc2c1OCCC2=O

InChI

InChI=1S/C22H26FNO4/c1-26-20-8-3-2-6-16(20)7-4-5-10-24-11-13-27-21-15-17(23)14-18-19(25)9-12-28-22(18)21/h2-3,6,8,14-15,24H,4-5,7,9-13H2,1H3

InChIKey KOWYTVKGFBQCPV-UHFFFAOYSA-N

Molecular Weight

387.45