(4-tert-butylphenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl) 2-(4-fluorophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-6,8-dimethyl-cinchoninic acid (4-tert-butylphenyl) ester Formula: C28H26FNO2 MolecularWeight: 427.509943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H26FNO2/c1-17-14-18(2)26-23(15-17)24(16-25(30-26)19-6-10-21(29)11-7-19)27(31)32-22-12-8-20(9-13-22)28(3,4)5/h6-16H,1-5H3