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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c28-17-10-18-30(23-15-8-3-9-16-23)25(31)20-34-27(33)24(19-21-11-4-1-5-12-21)29-26(32)22-13-6-2-7-14-22/h1-9,11-16,24H,10,18-20H2,(H,29,32)