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[4-(5-hexylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-octyl-benzoate

[4-(5-hexylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-octyl-benzoate

Systemtic Name:[4-(5-hexylpyrimidin-2-yl)phenyl] 3-fluoranyl-4-octyl-benzoate
Openeye Name:[4-(5-hexylpyrimidin-2-yl)phenyl] 3-fluoro-4-octyl-benzoate
CAS Name:3-fluoro-4-octylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:[4-(5-hexylpyrimidin-2-yl)phenyl] 3-fluoro-4-octylbenzoate
Traditional Name:3-fluoro-4-octyl-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester
Formula: C31H39FN2O2
MolecularWeight: 490.651963
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F


Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)F


InChI

InChI=1S/C31H39FN2O2/c1-3-5-7-9-10-12-14-25-15-16-27(21-29(25)32)31(35)36-28-19-17-26(18-20-28)30-33-22-24(23-34-30)13-11-8-6-4-2/h15-23H,3-14H2,1-2H3


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