2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoranyl-quinoline-4-carboxylic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoro-quinoline-4-carboxylic acid CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoro-4-quinolinecarboxylic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoroquinoline-4-carboxylic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-fluoro-cinchoninic acid Formula: C18H8F7NO2 MolecularWeight: 403.250442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=CC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=CC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H8F7NO2/c19-11-1-2-14-12(6-11)13(16(27)28)7-15(26-14)8-3-9(17(20,21)22)5-10(4-8)18(23,24)25/h1-7H,(H,27,28)