6-tert-butyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

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