[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,3-dimethylbutanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,3-dimethylbutanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-11-6-8-13(9-7-11)17-15(19)12(2)20-14(18)10-16(3,4)5/h6-9,12H,10H2,1-5H3,(H,17,19)/t12-/m0/s1