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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-4-methyl-phenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-4-methyl-phenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-methylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-4-methylphenyl)-4-ethoxycarbonylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-carbethoxy-2-(3-chloro-4-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O4/c1-6-30-21(28)18-14-25-27(17-8-7-15(2)19(24)13-17)20(18)16-9-11-26(12-10-16)22(29)31-23(3,4)5/h7-8,13-14,16H,6,9-12H2,1-5H3