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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)piperazino]propionic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H18N2O4/c17-14(18)3-4-15-5-7-16(8-6-15)11-1-2-12-13(9-11)20-10-19-12/h1-2,9H,3-8,10H2,(H,17,18)