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

Systemtic Name: tert-butyl 4-[4-ethoxycarbonyl-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-ethoxycarbonyl-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-ethoxycarbonyl-2-(3-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-ethoxycarbonyl-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-carbethoxy-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-6-29-21(27)19-15-24-26(18-9-7-8-16(2)14-18)20(19)17-10-12-25(13-11-17)22(28)30-23(3,4)5/h7-9,14-15,17H,6,10-13H2,1-5H3