[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-4-11-22-19(23)13-26-21(25)17-8-6-5-7-16(17)20(24)18-12-14(2)9-10-15(18)3/h1,5-10,12H,11,13H2,2-3H3,(H,22,23)