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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

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