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

Systemtic Name: 2-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-3-oxidanyl-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-methyl-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-methyl-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-methyl-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-methyl-6-(trifluoromethyl)cinchoninic acid Formula: C21H15ClF3NO3 MolecularWeight: 421.79691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H15ClF3NO3/c1-10-8-12(21(23,24)25)9-14-15(19(28)29)17(27)18(26-16(10)14)20(6-7-20)11-2-4-13(22)5-3-11/h2-5,8-9,27H,6-7H2,1H3,(H,28,29)