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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=C(C=C4)Cl)O)C(=O)O)C(F)(F)F

InChI

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