4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(methylamino)butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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