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[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-pentylbenzoate

[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-pentylbenzoate

Systemtic Name:[3-fluoranyl-4-(5-nonylpyrimidin-2-yl)phenyl] 4-pentylbenzoate
Openeye Name:[3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-pentylbenzoate
CAS Name:4-pentylbenzoic acid [3-fluoro-4-(5-nonyl-2-pyrimidinyl)phenyl] ester
IUPAC Name:[3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] 4-pentylbenzoate
Traditional Name:4-amylbenzoic acid [3-fluoro-4-(5-nonylpyrimidin-2-yl)phenyl] ester
Formula: C31H39FN2O2
MolecularWeight: 490.651963
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)F


Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)F


InChI

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


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