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

Systemtic Name: 1-(2-fluoranylhexanoyl)-4-[4-(5-hexylpyridin-2-yl)phenyl]cyclohexan-1-olate Openeye Name: 1-(2-fluorohexanoyl)-4-[4-(5-hexyl-2-pyridyl)phenyl]cyclohexanolate CAS Name: 1-(2-fluoro-1-oxohexyl)-4-[4-(5-hexyl-2-pyridinyl)phenyl]-1-cyclohexanolate IUPAC Name: 1-(2-fluorohexanoyl)-4-[4-(5-hexylpyridin-2-yl)phenyl]cyclohexan-1-olate Traditional Name: 1-(2-fluorohexanoyl)-4-[4-(5-hexyl-2-pyridyl)phenyl]cyclohexanolate Formula: C29H39FNO2- MolecularWeight: 452.623863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C(=O)C(CCCC)F)[O-]

InChI

InChI=1S/C29H39FNO2/c1-3-5-7-8-9-22-11-16-27(31-21-22)25-14-12-23(13-15-25)24-17-19-29(33,20-18-24)28(32)26(30)10-6-4-2/h11-16,21,24,26H,3-10,17-20H2,1-2H3/q-1