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 O=C(NCCF)NCCCOc1cccc(CN2CCCCC2)c1

InChI

InChI=1S/C18H28FN3O2/c19-8-10-21-18(23)20-9-5-13-24-17-7-4-6-16(14-17)15-22-11-2-1-3-12-22/h4,6-7,14H,1-3,5,8-13,15H2,(H2,20,21,23)

InChIKey BNFNSTGIBNGTGC-UHFFFAOYSA-N

Molecular Weight

337.44