cyclohexyl 2-fluoranyl-2-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]octanoate

Systemtic Name: cyclohexyl 2-fluoranyl-2-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]octanoate Openeye Name: cyclohexyl 2-fluoro-2-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]octanoate CAS Name: 2-fluoro-2-methyl-3-[4-(5-octyl-2-pyrimidinyl)phenoxy]octanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-2-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]octanoate Traditional Name: 2-fluoro-2-methyl-3-[4-(5-octylpyrimidin-2-yl)phenoxy]caprylic acid cyclohexyl ester Formula: C33H49FN2O3 MolecularWeight: 540.752163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(CCCCC)C(C)(C(=O)OC3CCCCC3)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(CCCCC)C(C)(C(=O)OC3CCCCC3)F

InChI

InChI=1S/C33H49FN2O3/c1-4-6-8-9-10-13-16-26-24-35-31(36-25-26)27-20-22-29(23-21-27)38-30(19-12-7-5-2)33(3,34)32(37)39-28-17-14-11-15-18-28/h20-25,28,30H,4-19H2,1-3H3