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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-6-butan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-difluorophenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(3,4-difluorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(3,4-difluorophenyl)quinoline-4-carboxylic acid Traditional Name: 2-(3,4-difluorophenyl)-6-sec-butyl-cinchoninic acid Formula: C20H17F2NO2 MolecularWeight: 341.351286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F2NO2/c1-3-11(2)12-5-7-18-14(8-12)15(20(24)25)10-19(23-18)13-4-6-16(21)17(22)9-13/h4-11H,3H2,1-2H3,(H,24,25)