[6-(4-octoxyphenyl)pyridin-3-yl] 2-fluoranyloctanoate

Systemtic Name: [6-(4-octoxyphenyl)pyridin-3-yl] 2-fluoranyloctanoate Openeye Name: [6-(4-octoxyphenyl)-3-pyridyl] 2-fluorooctanoate CAS Name: 2-fluorooctanoic acid [6-(4-octoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-octoxyphenyl)pyridin-3-yl] 2-fluorooctanoate Traditional Name: 2-fluorocaprylic acid [6-(4-octoxyphenyl)-3-pyridyl] ester Formula: C27H38FNO3 MolecularWeight: 443.593923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C(CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C(CCCCCC)F

InChI

InChI=1S/C27H38FNO3/c1-3-5-7-9-10-12-20-31-23-16-14-22(15-17-23)26-19-18-24(21-29-26)32-27(30)25(28)13-11-8-6-4-2/h14-19,21,25H,3-13,20H2,1-2H3