[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 8-bromanyl-6-methyl-2-pyridin-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 8-bromanyl-6-methyl-2-pyridin-2-yl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 8-bromo-6-methyl-2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 8-bromo-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 8-bromo-6-methyl-2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 8-bromo-6-methyl-2-(2-pyridyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)C)Br)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=C(C=C23)C)Br)C4=CC=CC=N4

InChI

InChI=1S/C25H19BrN2O3/c1-15-6-8-17(9-7-15)23(29)14-31-25(30)19-13-22(21-5-3-4-10-27-21)28-24-18(19)11-16(2)12-20(24)26/h3-13H,14H2,1-2H3