(phenylmethyl) N-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-(4-cyanoanilino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-cyanoanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-cyanoanilino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(4-cyanoanilino)-2-keto-ethyl]carbamic acid benzyl ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H21N3O3/c25-16-19-11-13-21(14-12-19)26-23(28)22(15-18-7-3-1-4-8-18)27-24(29)30-17-20-9-5-2-6-10-20/h1-14,22H,15,17H2,(H,26,28)(H,27,29)/t22-/m0/s1