tert-butyl 4-[5-[(4-ethoxyphenyl)methyl]-1H-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(4-ethoxyphenyl)methyl]-1H-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(4-ethoxyphenyl)methyl]-1H-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-[(4-ethoxyphenyl)methyl]-1H-pyrazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(4-ethoxyphenyl)methyl]-1H-pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-ethoxybenzyl)-1H-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=CC(=NN2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=CC(=NN2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O3/c1-5-27-19-8-6-16(7-9-19)14-18-15-20(24-23-18)17-10-12-25(13-11-17)21(26)28-22(2,3)4/h6-9,15,17H,5,10-14H2,1-4H3,(H,23,24)