[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H17BrO4 MolecularWeight: 377.22918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO4/c1-11-4-6-13(7-5-11)17(20)12(2)23-18(21)14-8-9-16(22-3)15(19)10-14/h4-10,12H,1-3H3/t12-/m0/s1