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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-carbethoxy-2-(3-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O4/c1-5-29-20(27)18-14-24-26(17-8-6-7-16(23)13-17)19(18)15-9-11-25(12-10-15)21(28)30-22(2,3)4/h6-8,13-15H,5,9-12H2,1-4H3