[4-(2-cyanophenyl)phenyl]methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [4-(2-cyanophenyl)benzyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C27H26N2O3/c1-18(2)25(29-26(30)22-12-8-19(3)9-13-22)27(31)32-17-20-10-14-21(15-11-20)24-7-5-4-6-23(24)16-28/h4-15,18,25H,17H2,1-3H3,(H,29,30)/t25-/m0/s1