4-[2-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 4-[2-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 4-[2-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine CAS Name: 4-[2-(6-methyloctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 4-[2-(6-methyloctoxy)phenyl]-5-octylpyrimidine Traditional Name: 4-[2-(6-methyloctoxy)phenyl]-5-octyl-pyrimidine Formula: C27H42N2O MolecularWeight: 410.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCCCCC(C)CC

InChI

InChI=1S/C27H42N2O/c1-4-6-7-8-9-12-17-24-21-28-22-29-27(24)25-18-13-14-19-26(25)30-20-15-10-11-16-23(3)5-2/h13-14,18-19,21-23H,4-12,15-17,20H2,1-3H3