ethanedioic acid; ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(NN=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2.C2H2O4/c1-2-23-18(22)15-8-10-21(11-9-15)13-16-12-19-20-17(16)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,12,15H,2,8-11,13H2,1H3,(H,19,20);(H,3,4)(H,5,6)