[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CCN(CC3)C(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3CCN(CC3)C(=O)C(C)(C)C

InChI

InChI=1S/C22H30N2O6/c1-14(19(25)23-12-15-5-6-17-18(11-15)29-13-28-17)30-20(26)16-7-9-24(10-8-16)21(27)22(2,3)4/h5-6,11,14,16H,7-10,12-13H2,1-4H3,(H,23,25)