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 COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC

InChI

InChI=1S/C22H26N2O5/c1-26-20-8-3-16(13-21(20)27-2)9-10-23-14-18(25)15-29-19-6-4-17(5-7-19)22-24-11-12-28-22/h3-8,11-13,18,23,25H,9-10,14-15H2,1-2H3

InChIKey FQYFINCLEJASOP-UHFFFAOYSA-N

Molecular Weight

398.46