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 CCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC

InChI

InChI=1S/C20H26N2O3/c1-4-5-13-25-19-14-17(11-12-18(19)24-3)22-20(23)21-15(2)16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H2,21,22,23)/t15-/m0/s1

InChIKey ZZGAWDPSUDEJQW-HNNXBMFYSA-N

Molecular Weight

342.44