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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]ethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]acetic acid CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]acetic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]acetic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-11(13-6-12(15)16)4-2-8-1-3-9-10(5-8)18-7-17-9/h1,3,5H,2,4,6-7H2,(H,13,14)(H,15,16)