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

Systemtic Name: 2-[4-(2-fluoranyl-5-methyl-heptoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(2-fluoro-5-methyl-heptoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(2-fluoro-5-methylheptoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(2-fluoro-5-methylheptoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(2-fluoro-5-methyl-heptoxy)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)OCC(CCC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCC(C)CC)F

InChI

InChI=1S/C26H39FN2O/c1-4-6-7-8-9-10-11-22-18-28-26(29-19-22)23-13-16-25(17-14-23)30-20-24(27)15-12-21(3)5-2/h13-14,16-19,21,24H,4-12,15,20H2,1-3H3