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

Systemtic Name: [5-(2-heptyl-1,3-benzodioxol-5-yl)pyridin-2-yl] hexanoate Openeye Name: [5-(2-heptyl-1,3-benzodioxol-5-yl)-2-pyridyl] hexanoate CAS Name: hexanoic acid [5-(2-heptyl-1,3-benzodioxol-5-yl)-2-pyridinyl] ester IUPAC Name: [5-(2-heptyl-1,3-benzodioxol-5-yl)pyridin-2-yl] hexanoate Traditional Name: hexanoic acid [5-(2-heptyl-1,3-benzodioxol-5-yl)-2-pyridyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=CN=C(C=C3)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCC1OC2=C(O1)C=C(C=C2)C3=CN=C(C=C3)OC(=O)CCCCC

InChI

InChI=1S/C25H33NO4/c1-3-5-7-8-10-12-25-28-21-15-13-19(17-22(21)29-25)20-14-16-23(26-18-20)30-24(27)11-9-6-4-2/h13-18,25H,3-12H2,1-2H3