5-[2,3-bis(fluoranyl)heptoxy]-2-(4-octylphenyl)pyrimidine

Systemtic Name: 5-[2,3-bis(fluoranyl)heptoxy]-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(2,3-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(2,3-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(2,3-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(2,3-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine Formula: C25H36F2N2O MolecularWeight: 418.562946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36F2N2O/c1-3-5-7-8-9-10-11-20-13-15-21(16-14-20)25-28-17-22(18-29-25)30-19-24(27)23(26)12-6-4-2/h13-18,23-24H,3-12,19H2,1-2H3