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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C3=C(C(=C4C=CC=C(C4=N3)C(F)(F)F)C(=O)O)O

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C3=C(C(=C4C=CC=C(C4=N3)C(F)(F)F)C(=O)O)O

InChI

InChI=1S/C21H15ClF3NO3/c22-12-7-5-11(6-8-12)20(9-2-10-20)18-17(27)15(19(28)29)13-3-1-4-14(16(13)26-18)21(23,24)25/h1,3-8,27H,2,9-10H2,(H,28,29)