[(2S)-1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-methylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-methylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propylphenyl)propan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1S)-2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C20H22O3 MolecularWeight: 310.38688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H22O3/c1-4-6-16-9-11-17(12-10-16)19(21)15(3)23-20(22)18-8-5-7-14(2)13-18/h5,7-13,15H,4,6H2,1-3H3/t15-/m0/s1