ethyl 1-[5-(2,4-dimethoxyphenyl)-1-ethyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-1-ethyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-1-ethyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-1-ethyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-1-ethylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2,4-dimethoxyphenyl)-1-ethyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)N2CCCC(C2)C(=O)OCC)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)N2CCCC(C2)C(=O)OCC)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O5/c1-5-25-19(17-10-9-16(28-3)12-20(17)29-4)13-18(23-25)21(26)24-11-7-8-15(14-24)22(27)30-6-2/h9-10,12-13,15H,5-8,11,14H2,1-4H3