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

Systemtic Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]isonipecotic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N2O5/c1-22-17(21)13-4-6-19(7-5-13)10-16(20)18-9-12-2-3-14-15(8-12)24-11-23-14/h2-3,8,13H,4-7,9-11H2,1H3,(H,18,20)