[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H20ClN3O4/c26-21-14-20(12-11-19(21)15-27)28-23(30)16-33-25(32)22(13-17-7-3-1-4-8-17)29-24(31)18-9-5-2-6-10-18/h1-12,14,22H,13,16H2,(H,28,30)(H,29,31)