5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-(6-octoxypyridin-3-yl)pyrimidine

Systemtic Name: 5-[2,3-bis(fluoranyl)-4-octyl-phenyl]-2-(6-octoxypyridin-3-yl)pyrimidine Openeye Name: 5-(2,3-difluoro-4-octyl-phenyl)-2-(6-octoxy-3-pyridyl)pyrimidine CAS Name: 5-(2,3-difluoro-4-octylphenyl)-2-(6-octoxy-3-pyridinyl)pyrimidine IUPAC Name: 5-(2,3-difluoro-4-octylphenyl)-2-(6-octoxypyridin-3-yl)pyrimidine Traditional Name: 5-(2,3-difluoro-4-octyl-phenyl)-2-(6-octoxy-3-pyridyl)pyrimidine Formula: C31H41F2N3O MolecularWeight: 509.673546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CN=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=CN=C(N=C2)C3=CN=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C31H41F2N3O/c1-3-5-7-9-11-13-15-24-16-18-27(30(33)29(24)32)26-22-35-31(36-23-26)25-17-19-28(34-21-25)37-20-14-12-10-8-6-4-2/h16-19,21-23H,3-15,20H2,1-2H3