6-butyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-butyl-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-[3-(trifluoromethyl)phenyl]cinchoninic acid Formula: C21H18F3NO2 MolecularWeight: 373.36833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)C(F)(F)F

InChI

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