2-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]propanoic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C(=O)O)NC(=O)CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO5/c1-8(13(16)17)14-12(15)5-3-9-2-4-10-11(6-9)19-7-18-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,15)(H,16,17)