(phenylmethyl) N-[2-(4-cyanophenyl)-1-oxidanylidene-propan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate

Systemtic Name: (phenylmethyl) N-[2-(4-cyanophenyl)-1-oxidanylidene-propan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate Openeye Name: benzyl N-(benzyloxycarbonylamino)-N-[1-(4-cyanophenyl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[2-(4-cyanophenyl)-1-oxopropan-2-yl]-N-(phenylmethoxycarbonylamino)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(4-cyanophenyl)-1-oxopropan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate Traditional Name: N-(benzyloxycarbonylamino)-N-[1-(4-cyanophenyl)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)(C1=CC=C(C=C1)C#N)N(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C=O)(C1=CC=C(C=C1)C#N)N(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H23N3O5/c1-26(19-30,23-14-12-20(16-27)13-15-23)29(25(32)34-18-22-10-6-3-7-11-22)28-24(31)33-17-21-8-4-2-5-9-21/h2-15,19H,17-18H2,1H3,(H,28,31)