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

Systemtic Name: 2-[4-(7-cyclopentylheptoxy)-2,3-bis(fluoranyl)phenyl]-5-heptoxy-pyrimidine Openeye Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-heptoxy-pyrimidine CAS Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-heptoxypyrimidine IUPAC Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-heptoxypyrimidine Traditional Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-heptoxy-pyrimidine Formula: C29H42F2N2O2 MolecularWeight: 488.652786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C29H42F2N2O2/c1-2-3-4-7-12-19-34-24-21-32-29(33-22-24)25-17-18-26(28(31)27(25)30)35-20-13-8-5-6-9-14-23-15-10-11-16-23/h17-18,21-23H,2-16,19-20H2,1H3