(3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-bromanyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-bromo-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-8-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-bromo-2-(4-fluorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)-8-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H21BrFNO3 MolecularWeight: 458.320143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H21BrFNO3/c1-13-9-15(24)10-17-18(22(28)29-12-20(27)23(2,3)4)11-19(26-21(13)17)14-5-7-16(25)8-6-14/h5-11H,12H2,1-4H3