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

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

Isomeric SMILES

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

InChI

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