[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H25N3O5/c28-16-17-30(23-14-8-3-9-15-23)25(31)20-34-26(32)24(18-21-10-4-1-5-11-21)29-27(33)35-19-22-12-6-2-7-13-22/h1-15,24H,17-20H2,(H,29,33)