[4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-7-chloranyl-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-7-chloranyl-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 6-bromo-7-chloro-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-2-(4-methoxyphenyl)-8-methyl-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-7-chloro-2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-2-(4-methoxyphenyl)-8-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C28H21BrCl2FNO4 MolecularWeight: 605.279043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OC(CCCl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H21BrCl2FNO4/c1-15-25(31)22(29)13-20-21(14-23(33-26(15)20)16-5-9-19(36-2)10-6-16)28(35)37-24(11-12-30)27(34)17-3-7-18(32)8-4-17/h3-10,13-14,24H,11-12H2,1-2H3