2-(4-tert-butylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyl)cinchoninic acid Formula: C21H18F3NO2 MolecularWeight: 373.36833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)C(=C2)C(=O)O

InChI

InChI=1S/C21H18F3NO2/c1-20(2,3)13-6-4-12(5-7-13)18-11-16(19(26)27)15-10-14(21(22,23)24)8-9-17(15)25-18/h4-11H,1-3H3,(H,26,27)