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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoic acid Traditional Name: 3-(4-piperonylpiperazino)propionic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O4/c18-15(19)3-4-16-5-7-17(8-6-16)10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11H2,(H,18,19)