2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-methylbutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-methylbutanoic acid Traditional Name: 3-methyl-2-(piperonylamino)butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO4/c1-8(2)12(13(15)16)14-6-9-3-4-10-11(5-9)18-7-17-10/h3-5,8,12,14H,6-7H2,1-2H3,(H,15,16)