(3,3-dimethyl-2-oxidanylidene-butyl) 7-chloranyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 7-chloranyl-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 7-chloro-2-(4-fluorophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-2-(4-fluorophenyl)-8-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 7-chloro-2-(4-fluorophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 7-chloro-2-(4-fluorophenyl)-8-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H21ClFNO3 MolecularWeight: 413.869143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C23H21ClFNO3/c1-13-18(24)10-9-16-17(22(28)29-12-20(27)23(2,3)4)11-19(26-21(13)16)14-5-7-15(25)8-6-14/h5-11H,12H2,1-4H3