ethyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-carbethoxy-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-3-yl]methyl]isonipecotic acid ethyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(C=NN2C3=CC4=C(C=C3)OCCO4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(C=NN2C3=CC4=C(C=C3)OCCO4)C(=O)OCC

InChI

InChI=1S/C23H29N3O6/c1-3-29-22(27)16-7-9-25(10-8-16)15-19-18(23(28)30-4-2)14-24-26(19)17-5-6-20-21(13-17)32-12-11-31-20/h5-6,13-14,16H,3-4,7-12,15H2,1-2H3