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

Systemtic Name: cyclohexyl 2-fluoranyl-2-[4-(5-hexylpyrimidin-2-yl)phenyl]-3-methyl-pentanoate Openeye Name: cyclohexyl 2-fluoro-2-[4-(5-hexylpyrimidin-2-yl)phenyl]-3-methyl-pentanoate CAS Name: 2-fluoro-2-[4-(5-hexyl-2-pyrimidinyl)phenyl]-3-methylpentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-2-[4-(5-hexylpyrimidin-2-yl)phenyl]-3-methylpentanoate Traditional Name: 2-fluoro-2-[4-(5-hexylpyrimidin-2-yl)phenyl]-3-methyl-valeric acid cyclohexyl ester Formula: C28H39FN2O2 MolecularWeight: 454.619863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

InChI

InChI=1S/C28H39FN2O2/c1-4-6-7-9-12-22-19-30-26(31-20-22)23-15-17-24(18-16-23)28(29,21(3)5-2)27(32)33-25-13-10-8-11-14-25/h15-21,25H,4-14H2,1-3H3