5-(2-fluoranyl-6-methyl-undecoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-(2-fluoranyl-6-methyl-undecoxy)-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2-fluoro-6-methyl-undecoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2-fluoro-6-methylundecoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2-fluoro-6-methylundecoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2-fluoro-6-methyl-undecoxy)-2-(4-octylphenyl)pyrimidine Formula: C30H47FN2O MolecularWeight: 470.705383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H47FN2O/c1-4-6-8-9-10-12-16-26-18-20-27(21-19-26)30-32-22-29(23-33-30)34-24-28(31)17-13-15-25(3)14-11-7-5-2/h18-23,25,28H,4-17,24H2,1-3H3