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

Systemtic Name: cyclohexyl 2-fluoranyl-3-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]pentanoate Openeye Name: cyclohexyl 2-fluoro-3-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]pentanoate CAS Name: 2-fluoro-3-methyl-2-[4-(5-nonyl-2-pyrimidinyl)phenyl]pentanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-fluoro-3-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]pentanoate Traditional Name: 2-fluoro-3-methyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]valeric acid cyclohexyl ester Formula: C31H45FN2O2 MolecularWeight: 496.699603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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