2-(4-tert-butylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-8-(trifluoromethyl)cinchoninic acid Formula: C21H18F3NO2 MolecularWeight: 373.36833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(F)(F)F)C(=C2)C(=O)O

InChI

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