[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-8-methyl-2-(p-tolyl)cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C26H18BrClFNO3 MolecularWeight: 526.781423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)F)Br)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)F)Br)Cl)C

InChI

InChI=1S/C26H18BrClFNO3/c1-14-3-5-16(6-4-14)22-12-20(19-11-21(27)24(28)15(2)25(19)30-22)26(32)33-13-23(31)17-7-9-18(29)10-8-17/h3-12H,13H2,1-2H3