cyclohexyl 2-fluoranyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]hexanoate

Systemtic Name: cyclohexyl 2-fluoranyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]hexanoate Openeye Name: cyclohexyl 2-fluoro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]hexanoate CAS Name: 2-fluoro-2-[4-(5-nonyl-2-pyrimidinyl)phenyl]hexanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]hexanoate Traditional Name: 2-fluoro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]hexanoic acid cyclohexyl ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(CCCC)(C(=O)OC3CCCCC3)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(CCCC)(C(=O)OC3CCCCC3)F

InChI

InChI=1S/C31H45FN2O2/c1-3-5-7-8-9-10-12-15-25-23-33-29(34-24-25)26-18-20-27(21-19-26)31(32,22-6-4-2)30(35)36-28-16-13-11-14-17-28/h18-21,23-24,28H,3-17,22H2,1-2H3