(4-pentylcyclohexyl) 2-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: (4-pentylcyclohexyl) 2-fluoranyl-4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: (4-pentylcyclohexyl) 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-nonyl-2-pyrimidinyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-nonylpyrimidin-2-yl)benzoic acid (4-amylcyclohexyl) ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3CCC(CC3)CCCCC)F

InChI

InChI=1S/C31H45FN2O2/c1-3-5-7-8-9-10-12-14-25-22-33-30(34-23-25)26-17-20-28(29(32)21-26)31(35)36-27-18-15-24(16-19-27)13-11-6-4-2/h17,20-24,27H,3-16,18-19H2,1-2H3