1-(2-fluoranylhexanoyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexan-1-olate

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-octyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-octylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 1-(2-fluorohexanoyl)-4-[4-(5-octyl-2-pyridyl)phenyl]cyclohexanolate Formula: C31H43FNO2- MolecularWeight: 480.677023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C31H43FNO2/c1-3-5-7-8-9-10-11-24-13-18-29(33-23-24)27-16-14-25(15-17-27)26-19-21-31(35,22-20-26)30(34)28(32)12-6-4-2/h13-18,23,26,28H,3-12,19-22H2,1-2H3/q-1