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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)carbonylamino]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]benzoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate Traditional Name: 2-(m-toluoylamino)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C26H23N3O4/c1-19-9-7-10-20(17-19)25(31)28-23-14-6-5-13-22(23)26(32)33-18-24(30)29(16-8-15-27)21-11-3-2-4-12-21/h2-7,9-14,17H,8,16,18H2,1H3,(H,28,31)