[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3,5-dimethylbenzoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3/c1-12-8-13(2)10-18(9-12)20(22)23-16(5)19(21)17-7-6-14(3)15(4)11-17/h6-11,16H,1-5H3/t16-/m0/s1