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

Systemtic Name: 2-[4-(7-cyclopentylheptoxy)-2,3-bis(fluoranyl)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluorophenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(7-cyclopentylheptoxy)-2,3-difluoro-phenyl]-5-nonyl-pyrimidine Formula: C31H46F2N2O MolecularWeight: 500.706546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCCCCCCCC3CCCC3)F)F

InChI

InChI=1S/C31H46F2N2O/c1-2-3-4-5-6-8-12-19-26-23-34-31(35-24-26)27-20-21-28(30(33)29(27)32)36-22-15-10-7-9-11-16-25-17-13-14-18-25/h20-21,23-25H,2-19,22H2,1H3