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

Systemtic Name: 2-(4-tert-butylphenyl)-6-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-(trifluoromethoxy)cinchoninic acid Formula: C21H18F3NO3 MolecularWeight: 389.36773

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18F3NO3/c1-20(2,3)13-6-4-12(5-7-13)18-11-16(19(26)27)15-10-14(28-21(22,23)24)8-9-17(15)25-18/h4-11H,1-3H3,(H,26,27)