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2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid

2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid

Systemtic Name:2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid
Openeye Name:2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid
CAS Name:2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid
IUPAC Name:2-(1,3-benzodioxol-5-ylmethylamino)pentanedioic acid
Traditional Name:2-(piperonylamino)glutaric acid
Formula: C13H15NO6
MolecularWeight: 281.2613
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(CCC(=O)O)C(=O)O


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(CCC(=O)O)C(=O)O


InChI

InChI=1S/C13H15NO6/c15-12(16)4-2-9(13(17)18)14-6-8-1-3-10-11(5-8)20-7-19-10/h1,3,5,9,14H,2,4,6-7H2,(H,15,16)(H,17,18)


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