[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 6-bromo-8-ethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] ester IUPAC Name: [4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] 6-bromo-8-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(p-tolyl)cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C29H24BrClFNO3 MolecularWeight: 568.861163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)C)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)C)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H24BrClFNO3/c1-3-18-14-21(30)15-23-24(16-25(33-27(18)23)19-6-4-17(2)5-7-19)29(35)36-26(12-13-31)28(34)20-8-10-22(32)11-9-20/h4-11,14-16,26H,3,12-13H2,1-2H3