2-[4-(3-methylheptoxy)phenyl]-5-octoxy-pyrimidine

Systemtic Name: 2-[4-(3-methylheptoxy)phenyl]-5-octoxy-pyrimidine Openeye Name: 2-[4-(3-methylheptoxy)phenyl]-5-octoxy-pyrimidine CAS Name: 2-[4-(3-methylheptoxy)phenyl]-5-octoxypyrimidine IUPAC Name: 2-[4-(3-methylheptoxy)phenyl]-5-octoxypyrimidine Traditional Name: 2-[4-(3-methylheptoxy)phenyl]-5-octoxy-pyrimidine Formula: C26H40N2O2 MolecularWeight: 412.608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC

InChI

InChI=1S/C26H40N2O2/c1-4-6-8-9-10-11-18-29-25-20-27-26(28-21-25)23-13-15-24(16-14-23)30-19-17-22(3)12-7-5-2/h13-16,20-22H,4-12,17-19H2,1-3H3