4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-(piperonylamino)-2-pyridyl]amino]butyric acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CN=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CN=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H17N3O5/c21-16(5-6-17(22)23)20-15-4-2-12(9-19-15)18-8-11-1-3-13-14(7-11)25-10-24-13/h1-4,7,9,18H,5-6,8,10H2,(H,22,23)(H,19,20,21)