5-(2-fluoranyl-5-methyl-octoxy)-2-(4-undecylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-5-methyl-octoxy)-2-(4-undecylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-5-methyl-octoxy)-2-(4-undecylphenyl)pyrimidine CAS Name: 5-(2-fluoro-5-methyloctoxy)-2-(4-undecylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-5-methyloctoxy)-2-(4-undecylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-5-methyl-octoxy)-2-(4-undecylphenyl)pyrimidine Formula: C30H47FN2O MolecularWeight: 470.705383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(C)CCC)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(CCC(C)CCC)F

InChI

InChI=1S/C30H47FN2O/c1-4-6-7-8-9-10-11-12-13-15-26-17-19-27(20-18-26)30-32-22-29(23-33-30)34-24-28(31)21-16-25(3)14-5-2/h17-20,22-23,25,28H,4-16,21,24H2,1-3H3