(4-octylcyclohexyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octylcyclohexyl) 2-fluoranyl-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: (4-octylcyclohexyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-octylcyclohexyl) ester IUPAC Name: (4-octylcyclohexyl) 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octylpyrimidin-2-yl)benzoic acid (4-octylcyclohexyl) ester Formula: C33H49FN2O2 MolecularWeight: 524.752763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)F

InChI

InChI=1S/C33H49FN2O2/c1-3-5-7-9-11-13-15-26-17-20-29(21-18-26)38-33(37)30-22-19-28(23-31(30)34)32-35-24-27(25-36-32)16-14-12-10-8-6-4-2/h19,22-26,29H,3-18,20-21H2,1-2H3