ethyl 1-[5-(4-tert-butylphenyl)-2-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(4-tert-butylphenyl)-2-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(4-tert-butylphenyl)-2-methyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(4-tert-butylphenyl)-2-methyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-tert-butylphenyl)-2-methylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(4-tert-butylphenyl)-2-methyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H31N3O3/c1-6-29-22(28)17-8-7-13-26(15-17)21(27)20-14-19(24-25(20)5)16-9-11-18(12-10-16)23(2,3)4/h9-12,14,17H,6-8,13,15H2,1-5H3