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

Systemtic Name: [4-(4-cyanophenyl)phenyl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H24N2O3/c1-17(2)24(28-25(29)22-8-4-18(3)5-9-22)26(30)31-23-14-12-21(13-15-23)20-10-6-19(16-27)7-11-20/h4-15,17,24H,1-3H3,(H,28,29)/t24-/m0/s1