[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C21H23NO4/c1-14-9-10-17(13-15(14)2)19(23)11-12-20(24)26-16(3)21(25)22-18-7-5-4-6-8-18/h4-10,13,16H,11-12H2,1-3H3,(H,22,25)/t16-/m1/s1