4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)piperazino]-4-keto-butyric acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)O

InChI

InChI=1S/C15H18N2O5/c18-14(3-4-15(19)20)17-7-5-16(6-8-17)11-1-2-12-13(9-11)22-10-21-12/h1-2,9H,3-8,10H2,(H,19,20)