2-[4-(3-fluoranyloctoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(3-fluoranyloctoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(3-fluorooctoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(3-fluorooctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(3-fluorooctoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(3-fluorooctoxy)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)OCCC(CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CCCCC)F

InChI

InChI=1S/C26H39FN2O/c1-3-5-7-8-9-11-12-22-20-28-26(29-21-22)23-14-16-25(17-15-23)30-19-18-24(27)13-10-6-4-2/h14-17,20-21,24H,3-13,18-19H2,1-2H3