2-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-5-octylpyrimidine Traditional Name: 5-octyl-2-(4-piperonyloxyphenyl)pyrimidine Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H30N2O3/c1-2-3-4-5-6-7-8-21-16-27-26(28-17-21)22-10-12-23(13-11-22)29-18-20-9-14-24-25(15-20)31-19-30-24/h9-17H,2-8,18-19H2,1H3