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

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylamino)butanoic acid CAS Name: 3-(1,3-benzodioxol-5-ylamino)butanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)butanoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylamino)butyric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(CC(=O)O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C11H13NO4/c1-7(4-11(13)14)12-8-2-3-9-10(5-8)16-6-15-9/h2-3,5,7,12H,4,6H2,1H3,(H,13,14)