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

Systemtic Name: 2-[4-(3-fluoranyl-5-methyl-heptoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(3-fluoro-5-methyl-heptoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(3-fluoro-5-methylheptoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(3-fluoro-5-methylheptoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(3-fluoro-5-methyl-heptoxy)phenyl]-5-octyl-pyrimidine Formula: C26H39FN2O MolecularWeight: 414.599063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39FN2O/c1-4-6-7-8-9-10-11-22-19-28-26(29-20-22)23-12-14-25(15-13-23)30-17-16-24(27)18-21(3)5-2/h12-15,19-21,24H,4-11,16-18H2,1-3H3