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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonylamino)butanoic acid Openeye Name: 4-(1,3-benzodioxole-5-carbonylamino)butanoic acid CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]butanoic acid IUPAC Name: 4-(1,3-benzodioxole-5-carbonylamino)butanoic acid Traditional Name: 4-(piperonyloylamino)butyric acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-11(15)2-1-5-13-12(16)8-3-4-9-10(6-8)18-7-17-9/h3-4,6H,1-2,5,7H2,(H,13,16)(H,14,15)