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

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O3/c1-13(17(22)21-16-9-7-14(11-19)8-10-16)20-18(23)24-12-15-5-3-2-4-6-15/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1