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

Systemtic Name: 6-ethyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C19H14F3NO2 MolecularWeight: 345.31517

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3NO2/c1-2-11-3-8-16-14(9-11)15(18(24)25)10-17(23-16)12-4-6-13(7-5-12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)