[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-8-ethyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-3-methyl-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-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-3-methyl-2-(p-tolyl)cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C30H26BrClFNO3 MolecularWeight: 582.887743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26BrClFNO3/c1-4-19-15-22(31)16-24-26(18(3)27(34-28(19)24)20-7-5-17(2)6-8-20)30(36)37-25(13-14-32)29(35)21-9-11-23(33)12-10-21/h5-12,15-16,25H,4,13-14H2,1-3H3