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

Systemtic Name: 5-(4-heptylphenyl)-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Openeye Name: 5-(4-heptylphenyl)-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine CAS Name: 5-(4-heptylphenyl)-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine IUPAC Name: 5-(4-heptylphenyl)-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Traditional Name: 5-(4-heptylphenyl)-2-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyrimidine Formula: C34H46N2O3 MolecularWeight: 530.74064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCOCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC4=C(C=C3)OC(O4)CCCCOCCCCCC

InChI

InChI=1S/C34H46N2O3/c1-3-5-7-9-10-14-27-16-18-28(19-17-27)30-25-35-34(36-26-30)29-20-21-31-32(24-29)39-33(38-31)15-11-13-23-37-22-12-8-6-4-2/h16-21,24-26,33H,3-15,22-23H2,1-2H3