2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)piperazino]acetic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O4/c16-13(17)8-14-3-5-15(6-4-14)10-1-2-11-12(7-10)19-9-18-11/h1-2,7H,3-6,8-9H2,(H,16,17)