(phenylmethyl) N-[(1S,2R)-1-cyano-1,4-diphenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S,2R)-1-cyano-1,4-diphenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-1-[(S)-cyano(phenyl)methyl]-3-phenyl-propyl]carbamate CAS Name: N-[(1S,2R)-1-cyano-1,4-diphenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,2R)-1-cyano-1,4-diphenylbutan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(S)-cyano(phenyl)methyl]-3-phenyl-propyl]carbamic acid benzyl ester Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O2/c26-18-23(22-14-8-3-9-15-22)24(17-16-20-10-4-1-5-11-20)27-25(28)29-19-21-12-6-2-7-13-21/h1-15,23-24H,16-17,19H2,(H,27,28)/t23-,24+/m0/s1