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

Systemtic Name: cyclohexyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-fluoranyl-3-methyl-pentanoate Openeye Name: cyclohexyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-fluoro-3-methyl-pentanoate CAS Name: 2-[4-(5-butyl-2-pyrimidinyl)phenyl]-2-fluoro-3-methylpentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-fluoro-3-methylpentanoate Traditional Name: 2-[4-(5-butylpyrimidin-2-yl)phenyl]-2-fluoro-3-methyl-valeric acid cyclohexyl ester Formula: C26H35FN2O2 MolecularWeight: 426.566703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)CC)(C(=O)OC3CCCCC3)F

InChI

InChI=1S/C26H35FN2O2/c1-4-6-10-20-17-28-24(29-18-20)21-13-15-22(16-14-21)26(27,19(3)5-2)25(30)31-23-11-8-7-9-12-23/h13-19,23H,4-12H2,1-3H3