3-(1,3-benzodioxol-5-ylcarbonylamino)butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)butanoic acid Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)butanoic acid CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]butanoic acid IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)butanoic acid Traditional Name: 3-(piperonyloylamino)butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-7(4-11(14)15)13-12(16)8-2-3-9-10(5-8)18-6-17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16)(H,14,15)