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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3)F)F

InChI

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