4-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid CAS Name: 4-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylcarbamoylamino)butanoic acid Traditional Name: 4-(piperonylcarbamoylamino)butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H16N2O5/c16-12(17)2-1-5-14-13(18)15-7-9-3-4-10-11(6-9)20-8-19-10/h3-4,6H,1-2,5,7-8H2,(H,16,17)(H2,14,15,18)