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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-pyridin-2-yl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(2-pyridyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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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=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4

InChI

InChI=1S/C24H17BrN2O3/c1-15-5-7-16(8-6-15)23(28)14-30-24(29)19-13-22(21-4-2-3-11-26-21)27-20-10-9-17(25)12-18(19)20/h2-13H,14H2,1H3