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pyrimidin-2-yl 3-fluoranyl-4-octyl-5-(4-octylphenyl)benzoate

pyrimidin-2-yl 3-fluoranyl-4-octyl-5-(4-octylphenyl)benzoate

Systemtic Name:pyrimidin-2-yl 3-fluoranyl-4-octyl-5-(4-octylphenyl)benzoate
Openeye Name:pyrimidin-2-yl 3-fluoro-4-octyl-5-(4-octylphenyl)benzoate
CAS Name:3-fluoro-4-octyl-5-(4-octylphenyl)benzoic acid 2-pyrimidinyl ester
IUPAC Name:pyrimidin-2-yl 3-fluoro-4-octyl-5-(4-octylphenyl)benzoate
Traditional Name:3-fluoro-4-octyl-5-(4-octylphenyl)benzoic acid 2-pyrimidyl ester
Formula: C33H43FN2O2
MolecularWeight: 518.705123
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=CC(=C2CCCCCCCC)F)C(=O)OC3=NC=CC=N3


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=CC(=C2CCCCCCCC)F)C(=O)OC3=NC=CC=N3


InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-11-13-16-26-18-20-27(21-19-26)30-24-28(32(37)38-33-35-22-15-23-36-33)25-31(34)29(30)17-14-12-10-8-6-4-2/h15,18-25H,3-14,16-17H2,1-2H3


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