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 CCCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O

InChI InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-10-15-13(19)17-11-9-12(18)16-14(17)20/h9,11H,2-8,10H2,1H3,(H,15,19)(H,16,18,20)

InChIKey RZUOIEMNIBAUSN-UHFFFAOYSA-N

Molecular Weight

281.36