[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(butylamino)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C16H20N2O3/c1-3-5-11-17-14-9-7-6-8-13(14)16(20)21-12-15(19)18-10-4-2/h2,6-9,17H,3,5,10-12H2,1H3,(H,18,19)