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

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-difluorophenyl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(2,5-difluorophenyl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-difluorophenyl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-difluorophenyl)-6-ethyl-cinchoninic acid Formula: C18H13F2NO2 MolecularWeight: 313.298126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H13F2NO2/c1-2-10-3-6-16-12(7-10)13(18(22)23)9-17(21-16)14-8-11(19)4-5-15(14)20/h3-9H,2H2,1H3,(H,22,23)