[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 6-bromo-7-chloro-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 6-bromo-7-chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7-chloro-3,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C27H20BrClFNO3 MolecularWeight: 540.808003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3C(=C2C)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(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)F)Br)Cl)C

InChI

InChI=1S/C27H20BrClFNO3/c1-14-4-6-18(7-5-14)25-15(2)23(20-12-21(28)24(29)16(3)26(20)31-25)27(33)34-13-22(32)17-8-10-19(30)11-9-17/h4-12H,13H2,1-3H3