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

Systemtic Name: 3-oxidanyl-8-phenyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-8-phenyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid CAS Name: 3-hydroxy-8-phenyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-8-phenyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-8-phenyl-2-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]cinchoninic acid Formula: C26H18F3NO3 MolecularWeight: 449.42123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=C(C=C2)C(F)(F)F)C3=C(C(=C4C=CC=C(C4=N3)C5=CC=CC=C5)C(=O)O)O

Isomeric SMILES

C1CC1(C2=CC=C(C=C2)C(F)(F)F)C3=C(C(=C4C=CC=C(C4=N3)C5=CC=CC=C5)C(=O)O)O

InChI

InChI=1S/C26H18F3NO3/c27-26(28,29)17-11-9-16(10-12-17)25(13-14-25)23-22(31)20(24(32)33)19-8-4-7-18(21(19)30-23)15-5-2-1-3-6-15/h1-12,31H,13-14H2,(H,32,33)