6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[5-[2-(trifluoromethyl)phenyl]-2-furyl]cinchoninic acid Formula: C23H16F3NO3 MolecularWeight: 411.37325

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H16F3NO3/c1-2-13-7-8-18-15(11-13)16(22(28)29)12-19(27-18)21-10-9-20(30-21)14-5-3-4-6-17(14)23(24,25)26/h3-12H,2H2,1H3,(H,28,29)