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[3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-heptylbenzoate

[3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-heptylbenzoate

Systemtic Name:[3-fluoranyl-4-(5-octylpyrimidin-2-yl)phenyl] 4-heptylbenzoate
Openeye Name:[3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-heptylbenzoate
CAS Name:4-heptylbenzoic acid [3-fluoro-4-(5-octyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:[3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] 4-heptylbenzoate
Traditional Name:4-heptylbenzoic acid [3-fluoro-4-(5-octylpyrimidin-2-yl)phenyl] ester
Formula: C32H41FN2O2
MolecularWeight: 504.678543
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC)F


Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC)F


InChI

InChI=1S/C32H41FN2O2/c1-3-5-7-9-11-13-15-26-23-34-31(35-24-26)29-21-20-28(22-30(29)33)37-32(36)27-18-16-25(17-19-27)14-12-10-8-6-4-2/h16-24H,3-15H2,1-2H3


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