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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-ethoxycarbonyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-ethoxycarbonylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-carbethoxy-2-(3-chloro-2-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=C(C(=CC=C2)Cl)C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

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