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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36F2N2O/c1-3-5-6-7-8-9-10-20-11-13-21(14-12-20)25-28-18-24(19-29-25)30-16-15-23(27)17-22(26)4-2/h11-14,18-19,22-23H,3-10,15-17H2,1-2H3