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 COc1cccc(OCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)c1

InChI

InChI=1S/C23H22N2O4/c1-28-17-7-4-8-18(15-17)29-14-12-24-11-13-25-22(26)19-9-2-5-16-6-3-10-20(21(16)19)23(25)27/h2-10,15,24H,11-14H2,1H3

InChIKey PWJRCEFNZHHJBF-UHFFFAOYSA-N

Molecular Weight

390.44