4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-4-keto-butyric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)O)C(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H20N2O6/c20-15(5-6-16(21)22)18-7-9-19(10-8-18)17(23)14-11-24-12-3-1-2-4-13(12)25-14/h1-4,14H,5-11H2,(H,21,22)