[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c26-16-18-8-7-13-21(14-18)27-23(29)17-32-24(30)15-22(19-9-3-1-4-10-19)28-25(31)20-11-5-2-6-12-20/h1-14,22H,15,17H2,(H,27,29)(H,28,31)