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

Systemtic Name: cyclohexyl 2-fluoranyl-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-pentanoate Openeye Name: cyclohexyl 2-fluoro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-pentanoate CAS Name: 2-fluoro-2-[4-(5-heptyl-2-pyrimidinyl)phenyl]-3-methylpentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methylpentanoate Traditional Name: 2-fluoro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-valeric acid cyclohexyl ester Formula: C29H41FN2O2 MolecularWeight: 468.646443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

InChI

InChI=1S/C29H41FN2O2/c1-4-6-7-8-10-13-23-20-31-27(32-21-23)24-16-18-25(19-17-24)29(30,22(3)5-2)28(33)34-26-14-11-9-12-15-26/h16-22,26H,4-15H2,1-3H3