2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyl-octoxy]phenyl]-5-octoxy-pyrimidine

Systemtic Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyl-octoxy]phenyl]-5-octoxy-pyrimidine Openeye Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyl-octoxy]phenyl]-5-octoxy-pyrimidine CAS Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyloctoxy]phenyl]-5-octoxypyrimidine IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyloctoxy]phenyl]-5-octoxypyrimidine Traditional Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-2-methyl-octoxy]phenyl]-5-octoxy-pyrimidine Formula: C34H46N2O4 MolecularWeight: 546.74004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(C3=CC4=C(C=C3)OCO4)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(C3=CC4=C(C=C3)OCO4)C(C)CCCCCC

InChI

InChI=1S/C34H46N2O4/c1-4-6-8-10-11-13-21-37-30-23-35-34(36-24-30)27-15-18-29(19-16-27)40-33(26(3)14-12-9-7-5-2)28-17-20-31-32(22-28)39-25-38-31/h15-20,22-24,26,33H,4-14,21,25H2,1-3H3