2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-5-(7-cyclopentylheptoxy)pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-5-(7-cyclopentylheptoxy)pyrimidine Openeye Name: 5-(7-cyclopentylheptoxy)-2-(2,3-difluoro-4-octyl-phenyl)pyrimidine CAS Name: 5-(7-cyclopentylheptoxy)-2-(2,3-difluoro-4-octylphenyl)pyrimidine IUPAC Name: 5-(7-cyclopentylheptoxy)-2-(2,3-difluoro-4-octylphenyl)pyrimidine Traditional Name: 5-(7-cyclopentylheptoxy)-2-(2,3-difluoro-4-octyl-phenyl)pyrimidine Formula: C30H44F2N2O MolecularWeight: 486.679966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C30H44F2N2O/c1-2-3-4-5-8-11-18-25-19-20-27(29(32)28(25)31)30-33-22-26(23-34-30)35-21-14-9-6-7-10-15-24-16-12-13-17-24/h19-20,22-24H,2-18,21H2,1H3