5-(3-fluoranyl-5-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine

Systemtic Name: 5-(3-fluoranyl-5-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine Openeye Name: 5-(3-fluoro-5-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine CAS Name: 5-(3-fluoro-5-methyloctoxy)-2-(4-nonylphenyl)pyrimidine IUPAC Name: 5-(3-fluoro-5-methyloctoxy)-2-(4-nonylphenyl)pyrimidine Traditional Name: 5-(3-fluoro-5-methyl-octoxy)-2-(4-nonylphenyl)pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(C)CCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CC(C)CCC)F

InChI

InChI=1S/C28H43FN2O/c1-4-6-7-8-9-10-11-13-24-14-16-25(17-15-24)28-30-21-27(22-31-28)32-19-18-26(29)20-23(3)12-5-2/h14-17,21-23,26H,4-13,18-20H2,1-3H3