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

Systemtic Name: 2-[4-(7-cyclopentylheptoxy)-2,3-bis(fluoranyl)phenyl]-5-nonoxy-pyrimidine Openeye Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-nonoxy-pyrimidine CAS Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-nonoxypyrimidine IUPAC Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-nonoxypyrimidine Traditional Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-nonoxy-pyrimidine Formula: C31H46F2N2O2 MolecularWeight: 516.705946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C31H46F2N2O2/c1-2-3-4-5-6-9-14-21-36-26-23-34-31(35-24-26)27-19-20-28(30(33)29(27)32)37-22-15-10-7-8-11-16-25-17-12-13-18-25/h19-20,23-25H,2-18,21-22H2,1H3