4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]butanoic acid Traditional Name: 4-[methyl(piperonyl)amino]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCCC(=O)O)CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17NO4/c1-14(6-2-3-13(15)16)8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,15,16)