methyl 4-[(2S,3R)-3-(4-bromophenyl)-4-methoxy-4-oxidanylidene-butan-2-yl]benzoate

Systemtic Name: methyl 4-[(2S,3R)-3-(4-bromophenyl)-4-methoxy-4-oxidanylidene-butan-2-yl]benzoate Openeye Name: methyl 4-[(1S,2R)-2-(4-bromophenyl)-3-methoxy-1-methyl-3-oxo-propyl]benzoate CAS Name: 4-[(2S,3R)-3-(4-bromophenyl)-4-methoxy-4-oxobutan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S,3R)-3-(4-bromophenyl)-4-methoxy-4-oxobutan-2-yl]benzoate Traditional Name: 4-[(1S,2R)-2-(4-bromophenyl)-3-keto-3-methoxy-1-methyl-propyl]benzoic acid methyl ester Formula: C19H19BrO4 MolecularWeight: 391.25576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrO4/c1-12(13-4-6-15(7-5-13)18(21)23-2)17(19(22)24-3)14-8-10-16(20)11-9-14/h4-12,17H,1-3H3/t12-,17-/m1/s1