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(CCc1ccccc1)c1ccccc1OCCCCCCCCN1CCCCC1

InChI

InChI=1S/C28H39NO2/c30-27(20-19-25-15-7-5-8-16-25)26-17-9-10-18-28(26)31-24-14-4-2-1-3-11-21-29-22-12-6-13-23-29/h5,7-10,15-18H,1-4,6,11-14,19-24H2

InChIKey ZDWCABHCFJEQGX-UHFFFAOYSA-N

Molecular Weight

421.63