[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2R)-2-benzamido-3-phenyl-propanoate CAS Name: (2R)-2-benzamido-3-phenylpropanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate Traditional Name: (2R)-2-benzamido-3-phenyl-propionic acid [2-(4-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)CC(C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O4/c26-16-19-11-13-21(14-12-19)27-23(29)17-32-25(31)22(15-18-7-3-1-4-8-18)28-24(30)20-9-5-2-6-10-20/h1-14,22H,15,17H2,(H,27,29)(H,28,30)/t22-/m1/s1