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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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