3-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c15-12(14-6-5-13(16)17)4-2-9-1-3-10-11(7-9)19-8-18-10/h1,3,7H,2,4-6,8H2,(H,14,15)(H,16,17)