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

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbamoylamino)butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-ylcarbamoylamino)butanoic acid CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylcarbamoylamino)butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-ylcarbamoylamino)butyric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c15-11(16)2-1-5-13-12(17)14-8-3-4-9-10(6-8)19-7-18-9/h3-4,6H,1-2,5,7H2,(H,15,16)(H2,13,14,17)