ethyl 1-[(1-ethylpyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1-ethylpyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(1-ethylpyrazol-4-yl)methyl]isonipecotic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H29N3O2/c1-3-24-17-19(15-22-24)16-23-12-10-21(11-13-23,20(25)26-4-2)14-18-8-6-5-7-9-18/h5-9,15,17H,3-4,10-14,16H2,1-2H3