5-(3-fluoranyl-4-methyl-nonoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-(3-fluoranyl-4-methyl-nonoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-4-methyl-nonoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3-fluoro-4-methylnonoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-4-methylnonoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-4-methyl-nonoxy)-2-(4-octylphenyl)pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(C(C)CCCCC)F

InChI

InChI=1S/C28H43FN2O/c1-4-6-8-9-10-12-14-24-15-17-25(18-16-24)28-30-21-26(22-31-28)32-20-19-27(29)23(3)13-11-7-5-2/h15-18,21-23,27H,4-14,19-20H2,1-3H3