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

Systemtic Name: (phenylmethyl) N-[(1S,2R)-1-cyano-1-(2-methoxyphenyl)-4-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-1-[(S)-cyano-(2-methoxyphenyl)methyl]-3-phenyl-propyl]carbamate CAS Name: N-[(1S,2R)-1-cyano-1-(2-methoxyphenyl)-4-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,2R)-1-cyano-1-(2-methoxyphenyl)-4-phenylbutan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(S)-cyano-(2-methoxyphenyl)methyl]-3-phenyl-propyl]carbamic acid benzyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)C(CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1[C@H](C#N)[C@@H](CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O3/c1-30-25-15-9-8-14-22(25)23(18-27)24(17-16-20-10-4-2-5-11-20)28-26(29)31-19-21-12-6-3-7-13-21/h2-15,23-24H,16-17,19H2,1H3,(H,28,29)/t23-,24+/m0/s1