2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]butanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]butanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]butyric acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C(=O)O)NC(=O)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15NO5/c1-2-9(13(16)17)14-12(15)6-8-3-4-10-11(5-8)19-7-18-10/h3-5,9H,2,6-7H2,1H3,(H,14,15)(H,16,17)