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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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