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

Systemtic Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-dimethylphenyl)-5-(3-methoxyphenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-5-34-27(32)20-11-13-29(14-12-20)26(31)25-17-23(21-7-6-8-22(16-21)33-4)28-30(25)24-15-18(2)9-10-19(24)3/h6-10,15-17,20H,5,11-14H2,1-4H3