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

Systemtic Name: 5-[3,4-bis(fluoranyl)heptoxy]-2-(4-octylphenyl)pyrimidine Openeye Name: 5-(3,4-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine CAS Name: 5-(3,4-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine IUPAC Name: 5-(3,4-difluoroheptoxy)-2-(4-octylphenyl)pyrimidine Traditional Name: 5-(3,4-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)OCCC(C(CCC)F)F

Isomeric SMILES

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

InChI

InChI=1S/C25H36F2N2O/c1-3-5-6-7-8-9-11-20-12-14-21(15-13-20)25-28-18-22(19-29-25)30-17-16-24(27)23(26)10-4-2/h12-15,18-19,23-24H,3-11,16-17H2,1-2H3