tert-butyl 4-[2-(3,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-ethoxycarbonylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-carbethoxy-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)C)C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)C)C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H33N3O4/c1-7-30-22(28)20-15-25-27(19-9-8-16(2)17(3)14-19)21(20)18-10-12-26(13-11-18)23(29)31-24(4,5)6/h8-9,14-15,18H,7,10-13H2,1-6H3