[4-(4-cyanophenyl)phenyl] (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H22N2O3 MolecularWeight: 446.49658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H22N2O3/c30-20-21-11-13-22(14-12-21)23-15-17-26(18-16-23)34-28(32)19-27(24-7-3-1-4-8-24)31-29(33)25-9-5-2-6-10-25/h1-18,27H,19H2,(H,31,33)/t27-/m0/s1