[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H22BrNO3 MolecularWeight: 488.37248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C27H22BrNO3/c1-16-4-7-19(8-5-16)26(30)15-32-27(31)23-14-25(20-9-6-17(2)18(3)12-20)29-24-11-10-21(28)13-22(23)24/h4-14H,15H2,1-3H3