cyclohexyl 2-fluoranyl-3-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]pentanoate

Systemtic Name: cyclohexyl 2-fluoranyl-3-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]pentanoate Openeye Name: cyclohexyl 2-fluoro-3-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]pentanoate CAS Name: 2-fluoro-3-methyl-2-[4-(5-octyl-2-pyrimidinyl)phenyl]pentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-3-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]pentanoate Traditional Name: 2-fluoro-3-methyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]valeric acid cyclohexyl ester Formula: C30H43FN2O2 MolecularWeight: 482.673023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43FN2O2/c1-4-6-7-8-9-11-14-24-21-32-28(33-22-24)25-17-19-26(20-18-25)30(31,23(3)5-2)29(34)35-27-15-12-10-13-16-27/h17-23,27H,4-16H2,1-3H3