tert-butyl 4-[2-ethyl-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-ethyl-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(benzyloxymethyl)-2-ethyl-4-methyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-ethyl-4-methyl-5-(phenylmethoxymethyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-ethyl-4-methyl-5-(phenylmethoxymethyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(benzoxymethyl)-2-ethyl-4-methyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)COCC2=CC=CC=C2)C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C(=C(C(=N1)COCC2=CC=CC=C2)C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H35N3O3/c1-6-27-22(20-12-14-26(15-13-20)23(28)30-24(3,4)5)18(2)21(25-27)17-29-16-19-10-8-7-9-11-19/h7-11,20H,6,12-17H2,1-5H3