(4-hexylcyclohexyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexylcyclohexyl) 2-fluoranyl-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylcyclohexyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-hexylcyclohexyl) ester IUPAC Name: (4-hexylcyclohexyl) 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-hexylcyclohexyl) ester Formula: C29H41FN2O2 MolecularWeight: 468.646443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCC)F

InChI

InChI=1S/C29H41FN2O2/c1-3-5-7-9-11-22-13-16-25(17-14-22)34-29(33)26-18-15-24(19-27(26)30)28-31-20-23(21-32-28)12-10-8-6-4-2/h15,18-22,25H,3-14,16-17H2,1-2H3