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

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [4-(phenylcarbamoyl)benzyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c1-18(2)24(29-26(31)23-12-8-7-9-19(23)3)27(32)33-17-20-13-15-21(16-14-20)25(30)28-22-10-5-4-6-11-22/h4-16,18,24H,17H2,1-3H3,(H,28,30)(H,29,31)/t24-/m0/s1