[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H21N3O4/c1-28(16-18-8-3-2-4-9-18)24(30)21-12-5-6-13-22(21)25(31)32-17-23(29)27-20-11-7-10-19(14-20)15-26/h2-14H,16-17H2,1H3,(H,27,29)