[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H17NO4/c1-3-12-21-18(22)13-25-20(24)17-7-5-4-6-16(17)19(23)15-10-8-14(2)9-11-15/h1,4-11H,12-13H2,2H3,(H,21,22)