5-(2-heptan-2-yl-1,3-benzodioxol-5-yl)-2-(4-hexoxybutyl)pyridine

Systemtic Name: 5-(2-heptan-2-yl-1,3-benzodioxol-5-yl)-2-(4-hexoxybutyl)pyridine Openeye Name: 2-(4-hexoxybutyl)-5-[2-(1-methylhexyl)-1,3-benzodioxol-5-yl]pyridine CAS Name: 5-(2-heptan-2-yl-1,3-benzodioxol-5-yl)-2-(4-hexoxybutyl)pyridine IUPAC Name: 5-(2-heptan-2-yl-1,3-benzodioxol-5-yl)-2-(4-hexoxybutyl)pyridine Traditional Name: 2-(4-hexoxybutyl)-5-[2-(1-methylhexyl)-1,3-benzodioxol-5-yl]pyridine Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(O3)C(C)CCCCC

Isomeric SMILES

CCCCCCOCCCCC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(O3)C(C)CCCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-11-19-31-20-12-10-14-26-17-15-25(22-30-26)24-16-18-27-28(21-24)33-29(32-27)23(3)13-9-7-5-2/h15-18,21-23,29H,4-14,19-20H2,1-3H3