methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-(4-bromophenyl)-4-(m-tolyl)-4-oxo-butanoate CAS Name: 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxobutanoate Traditional Name: 2-(4-bromophenyl)-4-keto-4-(m-tolyl)butyric acid methyl ester Formula: C18H17BrO3 MolecularWeight: 361.22978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO3/c1-12-4-3-5-14(10-12)17(20)11-16(18(21)22-2)13-6-8-15(19)9-7-13/h3-10,16H,11H2,1-2H3