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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C(CCC)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C(CCC)F)F

InChI

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