[4-(2-methylbutan-2-yl)phenyl] 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-6,8-dimethyl-cinchoninic acid (4-tert-amylphenyl) ester Formula: C29H28FNO2 MolecularWeight: 441.536523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H28FNO2/c1-6-29(4,5)21-9-13-23(14-10-21)33-28(32)25-17-26(20-7-11-22(30)12-8-20)31-27-19(3)15-18(2)16-24(25)27/h7-17H,6H2,1-5H3