ethyl 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-benzyl-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H31N3O2/c1-4-25-18(3)20(15-23-25)16-24-13-9-12-22(17-24,21(26)27-5-2)14-19-10-7-6-8-11-19/h6-8,10-11,15H,4-5,9,12-14,16-17H2,1-3H3