[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-2-phenyl-ethanoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-benzamido-2-phenyl-acetate CAS Name: 2-benzamido-2-phenylacetic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-benzamido-2-phenylacetate Traditional Name: 2-benzamido-2-phenyl-acetic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22ClN3O4/c27-21-13-7-14-22(17-21)30(16-8-15-28)23(31)18-34-26(33)24(19-9-3-1-4-10-19)29-25(32)20-11-5-2-6-12-20/h1-7,9-14,17,24H,8,16,18H2,(H,29,32)