[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-15-7-5-8-16(13-15)20(26)23-18-10-4-3-9-17(18)21(27)28-14-19(25)24(2)12-6-11-22/h3-5,7-10,13H,6,12,14H2,1-2H3,(H,23,26)