5-(2-octan-2-yl-1,3-benzodioxol-5-yl)-2-octoxy-pyridine

Systemtic Name: 5-(2-octan-2-yl-1,3-benzodioxol-5-yl)-2-octoxy-pyridine Openeye Name: 5-[2-(1-methylheptyl)-1,3-benzodioxol-5-yl]-2-octoxy-pyridine CAS Name: 5-(2-octan-2-yl-1,3-benzodioxol-5-yl)-2-octoxypyridine IUPAC Name: 5-(2-octan-2-yl-1,3-benzodioxol-5-yl)-2-octoxypyridine Traditional Name: 5-[2-(1-methylheptyl)-1,3-benzodioxol-5-yl]-2-octoxy-pyridine Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(O3)C(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=CC3=C(C=C2)OC(O3)C(C)CCCCCC

InChI

InChI=1S/C28H41NO3/c1-4-6-8-10-11-13-19-30-27-18-16-24(21-29-27)23-15-17-25-26(20-23)32-28(31-25)22(3)14-12-9-7-5-2/h15-18,20-22,28H,4-14,19H2,1-3H3