[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4/c1-14(2)19(23-21(25)18-8-6-5-7-9-18)22(26)27-16(4)20(24)17-12-10-15(3)11-13-17/h5-14,16,19H,1-4H3,(H,23,25)/t16?,19-/m0/s1