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 CC1CCCC(C)N1CCCNC(=O)C1(c2ccccc2)CCCCC1

InChI

InChI=1S/C23H36N2O/c1-19-11-9-12-20(2)25(19)18-10-17-24-22(26)23(15-7-4-8-16-23)21-13-5-3-6-14-21/h3,5-6,13-14,19-20H,4,7-12,15-18H2,1-2H3,(H,24,26)

InChIKey QMNHUHKQSGXSPA-UHFFFAOYSA-N

Molecular Weight

356.55