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

Systemtic Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(p-tolyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2,4-dimethoxyphenyl)-2-(p-tolyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C27H31N3O5/c1-5-35-27(32)19-12-14-29(15-13-19)26(31)24-17-23(22-11-10-21(33-3)16-25(22)34-4)28-30(24)20-8-6-18(2)7-9-20/h6-11,16-17,19H,5,12-15H2,1-4H3