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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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