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

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-6-butyl-quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2,5-difluorophenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2,5-difluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2,5-difluorophenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2,5-difluorophenyl)cinchoninic acid Formula: C20H17F2NO2 MolecularWeight: 341.351286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C20H17F2NO2/c1-2-3-4-12-5-8-18-14(9-12)15(20(24)25)11-19(23-18)16-10-13(21)6-7-17(16)22/h5-11H,2-4H2,1H3,(H,24,25)