2-[4-(3-fluoranyl-4-methyl-hexoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(3-fluoranyl-4-methyl-hexoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(3-fluoro-4-methyl-hexoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(3-fluoro-4-methylhexoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(3-fluoro-4-methylhexoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(3-fluoro-4-methyl-hexoxy)phenyl]-5-octyl-pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37FN2O/c1-4-6-7-8-9-10-11-21-18-27-25(28-19-21)22-12-14-23(15-13-22)29-17-16-24(26)20(3)5-2/h12-15,18-20,24H,4-11,16-17H2,1-3H3