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

Systemtic Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O6/c1-5-36-27(32)18-12-14-29(15-13-18)26(31)24-17-23(22-11-10-21(34-3)16-25(22)35-4)28-30(24)19-6-8-20(33-2)9-7-19/h6-11,16-18H,5,12-15H2,1-4H3