[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO4/c1-13(19(23)14-6-9-16(10-7-14)21(2,3)4)26-20(24)15-8-11-18(25-5)17(22)12-15/h6-13H,1-5H3/t13-/m1/s1