[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrO3 MolecularWeight: 361.22978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO3/c1-11-4-5-15(10-12(11)2)18(21)22-13(3)17(20)14-6-8-16(19)9-7-14/h4-10,13H,1-3H3/t13-/m1/s1