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(CNCC[C@H](N)C(=O)N2CCCCC2)c(OC)c1

InChI

InChI=1S/C18H29N3O3/c1-23-15-7-6-14(17(12-15)24-2)13-20-9-8-16(19)18(22)21-10-4-3-5-11-21/h6-7,12,16,20H,3-5,8-11,13,19H2,1-2H3/t16-/m0/s1

InChIKey LDLSKWXXGOYYEN-INIZCTEOSA-N

Molecular Weight

335.45