[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H29N3O5/c1-22(27(33)32(19-11-18-30)25-16-9-4-10-17-25)37-28(34)26(20-23-12-5-2-6-13-23)31-29(35)36-21-24-14-7-3-8-15-24/h2-10,12-17,22,26H,11,19-21H2,1H3,(H,31,35)