2-(2,5-dimethylphenyl)-6,8-bis(fluoranyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylphenyl)-6,8-bis(fluoranyl)quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethylphenyl)-6,8-difluoro-quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethylphenyl)-6,8-difluoro-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylphenyl)-6,8-difluoroquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethylphenyl)-6,8-difluoro-cinchoninic acid Formula: C18H13F2NO2 MolecularWeight: 313.298126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=C(C=C(C=C3C(=C2)C(=O)O)F)F

InChI

InChI=1S/C18H13F2NO2/c1-9-3-4-10(2)12(5-9)16-8-14(18(22)23)13-6-11(19)7-15(20)17(13)21-16/h3-8H,1-2H3,(H,22,23)