6-(1,3-benzodioxol-5-ylcarbonylamino)hexanoic acid

Systemtic Name: 6-(1,3-benzodioxol-5-ylcarbonylamino)hexanoic acid Openeye Name: 6-(1,3-benzodioxole-5-carbonylamino)hexanoic acid CAS Name: 6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]hexanoic acid IUPAC Name: 6-(1,3-benzodioxole-5-carbonylamino)hexanoic acid Traditional Name: 6-(piperonyloylamino)hexanoic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H17NO5/c16-13(17)4-2-1-3-7-15-14(18)10-5-6-11-12(8-10)20-9-19-11/h5-6,8H,1-4,7,9H2,(H,15,18)(H,16,17)