[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,3-dimethylanilino)benzoate CAS Name: 2-(2,3-dimethylanilino)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2,3-dimethylanilino)benzoate Traditional Name: 2-(2,3-dimethylanilino)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C)C

InChI

InChI=1S/C20H20N2O3/c1-4-12-21-19(23)13-25-20(24)16-9-5-6-10-18(16)22-17-11-7-8-14(2)15(17)3/h1,5-11,22H,12-13H2,2-3H3,(H,21,23)