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 CCCN(c1nccc(-c2c(OC)cc(OC)cc2OC)n1)C(C1CC1)C1CC1

InChI

InChI=1S/C23H31N3O3/c1-5-12-26(22(15-6-7-15)16-8-9-16)23-24-11-10-18(25-23)21-19(28-3)13-17(27-2)14-20(21)29-4/h10-11,13-16,22H,5-9,12H2,1-4H3

InChIKey VVOKUTLMKHSKLC-UHFFFAOYSA-N

Molecular Weight

397.52