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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)CCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)CCCC

InChI

InChI=1S/C27H42N2O/c1-4-6-8-9-10-11-15-24-21-28-27(29-22-24)25-16-18-26(19-17-25)30-20-12-14-23(3)13-7-5-2/h16-19,21-23H,4-15,20H2,1-3H3