2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-oxidanyl-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-oxidanyl-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-hydroxy-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-hydroxy-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-hydroxy-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-ethyl-3-hydroxy-6-(trifluoromethyl)cinchoninic acid Formula: C22H17ClF3NO3 MolecularWeight: 435.82349

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)C(F)(F)F)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)C(F)(F)F)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C22H17ClF3NO3/c1-2-11-9-13(22(24,25)26)10-15-16(20(29)30)18(28)19(27-17(11)15)21(7-8-21)12-3-5-14(23)6-4-12/h3-6,9-10,28H,2,7-8H2,1H3,(H,29,30)