ethyl 4-[1,3-benzodioxol-5-ylcarbonyl-[[(3R)-oxolan-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylcarbonyl-[[(3R)-oxolan-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzodioxole-5-carbonyl-[[(3R)-tetrahydrofuran-3-yl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1,3-benzodioxol-5-yl(oxo)methyl]-[[(3R)-3-oxolanyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxole-5-carbonyl-[[(3R)-oxolan-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[piperonyloyl-[[(3R)-tetrahydrofuran-3-yl]methyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2CCOC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(C[C@H]2CCOC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N2O6/c1-2-27-21(25)22-8-5-17(6-9-22)23(12-15-7-10-26-13-15)20(24)16-3-4-18-19(11-16)29-14-28-18/h3-4,11,15,17H,2,5-10,12-14H2,1H3/t15-/m1/s1