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

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]butanoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]butanoic acid CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]butanoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9(6-14(17)18)15-13(16)5-3-10-2-4-11-12(7-10)20-8-19-11/h2,4,7,9H,3,5-6,8H2,1H3,(H,15,16)(H,17,18)