5-(2-fluoranyl-3-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-3-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-3-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine CAS Name: 5-(2-fluoro-3-methyloctoxy)-2-(4-nonylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-3-methyloctoxy)-2-(4-nonylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-3-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(C)CCCCC)F

InChI

InChI=1S/C28H43FN2O/c1-4-6-8-9-10-11-13-15-24-16-18-25(19-17-24)28-30-20-26(21-31-28)32-22-27(29)23(3)14-12-7-5-2/h16-21,23,27H,4-15,22H2,1-3H3