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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-piperonyloylpiperazino)acetic acid Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5/c17-13(18)8-15-3-5-16(6-4-15)14(19)10-1-2-11-12(7-10)21-9-20-11/h1-2,7H,3-6,8-9H2,(H,17,18)