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

Systemtic Name: tert-butyl 4-[4-ethoxycarbonyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-ethoxycarbonyl-2-(4-isopropylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-ethoxycarbonyl-2-(4-propan-2-ylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-ethoxycarbonyl-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-(4-carbethoxy-2-p-cumenyl-pyrazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35N3O4/c1-7-31-23(29)21-16-26-28(20-10-8-18(9-11-20)17(2)3)22(21)19-12-14-27(15-13-19)24(30)32-25(4,5)6/h8-11,16-17,19H,7,12-15H2,1-6H3