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

Systemtic Name: [4-chloranyl-1-(4-fluorophenyl)-1-oxidanylidene-butan-2-yl] 6-bromanyl-7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [3-chloro-1-(4-fluorobenzoyl)propyl] 2-(4-benzyloxyphenyl)-6-bromo-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)-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-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7-chloro-8-methyl-cinchoninic acid [3-chloro-1-(4-fluorobenzoyl)propyl] ester Formula: C34H25BrCl2FNO4 MolecularWeight: 681.375003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H25BrCl2FNO4/c1-20-31(37)28(35)17-26-27(34(41)43-30(15-16-36)33(40)23-7-11-24(38)12-8-23)18-29(39-32(20)26)22-9-13-25(14-10-22)42-19-21-5-3-2-4-6-21/h2-14,17-18,30H,15-16,19H2,1H3