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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-keto-2-(4-piperonylpiperazino)ethoxy]acetic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COCC(=O)O

InChI

InChI=1S/C16H20N2O6/c19-15(9-22-10-16(20)21)18-5-3-17(4-6-18)8-12-1-2-13-14(7-12)24-11-23-13/h1-2,7H,3-6,8-11H2,(H,20,21)