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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H25N3O5/c1-19(25(31)29-23-14-8-13-22(15-23)17-28)35-26(32)24(16-20-9-4-2-5-10-20)30-27(33)34-18-21-11-6-3-7-12-21/h2-15,19,24H,16,18H2,1H3,(H,29,31)(H,30,33)