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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

InChI

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