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

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 6-bromo-7,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-7,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 6-bromo-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-7,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C27H21BrFNO3 MolecularWeight: 506.362943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrFNO3/c1-15-4-6-18(7-5-15)24-13-22(21-12-23(28)16(2)17(3)26(21)30-24)27(32)33-14-25(31)19-8-10-20(29)11-9-19/h4-13H,14H2,1-3H3