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

Systemtic Name: (4-octylcyclohexyl) 2-fluoranyl-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-octylcyclohexyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-octylcyclohexyl) ester IUPAC Name: (4-octylcyclohexyl) 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-octylcyclohexyl) ester Formula: C32H47FN2O2 MolecularWeight: 510.726183

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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)CCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C32H47FN2O2/c1-3-5-7-9-11-12-14-25-16-19-28(20-17-25)37-32(36)29-21-18-27(22-30(29)33)31-34-23-26(24-35-31)15-13-10-8-6-4-2/h18,21-25,28H,3-17,19-20H2,1-2H3