2-(3-fluoranyl-4-octoxy-phenyl)-5-octyl-pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-octoxy-phenyl)-5-octyl-pyrimidine Openeye Name: 2-(3-fluoro-4-octoxy-phenyl)-5-octyl-pyrimidine CAS Name: 2-(3-fluoro-4-octoxyphenyl)-5-octylpyrimidine IUPAC Name: 2-(3-fluoro-4-octoxyphenyl)-5-octylpyrimidine Traditional Name: 2-(3-fluoro-4-octoxy-phenyl)-5-octyl-pyrimidine Formula: C26H39FN2O MolecularWeight: 414.599063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39FN2O/c1-3-5-7-9-11-13-15-22-20-28-26(29-21-22)23-16-17-25(24(27)19-23)30-18-14-12-10-8-6-4-2/h16-17,19-21H,3-15,18H2,1-2H3