2,6-bis(fluoranyl)-4-[4-(5-heptylpyridin-2-yl)phenyl]benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-4-[4-(5-heptylpyridin-2-yl)phenyl]benzoic acid Openeye Name: 2,6-difluoro-4-[4-(5-heptyl-2-pyridyl)phenyl]benzoic acid CAS Name: 2,6-difluoro-4-[4-(5-heptyl-2-pyridinyl)phenyl]benzoic acid IUPAC Name: 2,6-difluoro-4-[4-(5-heptylpyridin-2-yl)phenyl]benzoic acid Traditional Name: 2,6-difluoro-4-[4-(5-heptyl-2-pyridyl)phenyl]benzoic acid Formula: C25H25F2NO2 MolecularWeight: 409.468306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(=O)O)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(=O)O)F

InChI

InChI=1S/C25H25F2NO2/c1-2-3-4-5-6-7-17-8-13-23(28-16-17)19-11-9-18(10-12-19)20-14-21(26)24(25(29)30)22(27)15-20/h8-16H,2-7H2,1H3,(H,29,30)