[5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyridin-2-yl] hexanoate

Systemtic Name: [5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyridin-2-yl] hexanoate Openeye Name: [5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-2-pyridyl] hexanoate CAS Name: hexanoic acid [5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-2-pyridinyl] ester IUPAC Name: [5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]pyridin-2-yl] hexanoate Traditional Name: hexanoic acid [5-[2-(4-hexoxybutyl)-1,3-benzodioxol-5-yl]-2-pyridyl] ester Formula: C28H39NO5 MolecularWeight: 469.61296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=CN=C(C=C3)OC(=O)CCCCC

Isomeric SMILES

CCCCCCOCCCCC1OC2=C(O1)C=C(C=C2)C3=CN=C(C=C3)OC(=O)CCCCC

InChI

InChI=1S/C28H39NO5/c1-3-5-7-10-18-31-19-11-9-13-28-32-24-16-14-22(20-25(24)33-28)23-15-17-26(29-21-23)34-27(30)12-8-6-4-2/h14-17,20-21,28H,3-13,18-19H2,1-2H3