2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-5-(4-octoxyphenyl)pyrimidine Formula: C35H48N2O4 MolecularWeight: 560.76662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCOCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCOCCCCCC

InChI

InChI=1S/C35H48N2O4/c1-3-5-7-9-10-13-24-39-31-19-16-28(17-20-31)30-26-36-35(37-27-30)29-18-21-32-33(25-29)41-34(40-32)15-11-14-23-38-22-12-8-6-4-2/h16-21,25-27,34H,3-15,22-24H2,1-2H3