6-butan-2-yl-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H18F3NO2/c1-3-12(2)13-8-9-18-15(10-13)16(20(26)27)11-19(25-18)14-6-4-5-7-17(14)21(22,23)24/h4-12H,3H2,1-2H3,(H,26,27)