3-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-heptyl-pyridine-2-carboxylic acid

Systemtic Name: 3-[4-decoxy-2,3-bis(fluoranyl)phenyl]-5-heptyl-pyridine-2-carboxylic acid Openeye Name: 3-(4-decoxy-2,3-difluoro-phenyl)-5-heptyl-pyridine-2-carboxylic acid CAS Name: 3-(4-decoxy-2,3-difluorophenyl)-5-heptyl-2-pyridinecarboxylic acid IUPAC Name: 3-(4-decoxy-2,3-difluorophenyl)-5-heptylpyridine-2-carboxylic acid Traditional Name: 3-(4-decoxy-2,3-difluoro-phenyl)-5-heptyl-picolinic acid Formula: C29H41F2NO3 MolecularWeight: 489.637546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C2=CC(=CN=C2C(=O)O)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C2=CC(=CN=C2C(=O)O)CCCCCCC)F)F

InChI

InChI=1S/C29H41F2NO3/c1-3-5-7-9-10-11-13-15-19-35-25-18-17-23(26(30)27(25)31)24-20-22(16-14-12-8-6-4-2)21-32-28(24)29(33)34/h17-18,20-21H,3-16,19H2,1-2H3,(H,33,34)