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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O4/c1-14(24)22-18(16-5-3-2-4-6-16)11-20(26)27-13-19(25)23-17-9-7-15(12-21)8-10-17/h2-10,18H,11,13H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1