1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]isonipecotic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O5/c19-15(9-18-5-3-12(4-6-18)16(20)21)17-8-11-1-2-13-14(7-11)23-10-22-13/h1-2,7,12H,3-6,8-10H2,(H,17,19)(H,20,21)