ethyl 1-[3-phenylmethoxy-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-phenylmethoxy-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(1-benzyl-3-benzyloxy-pyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[3-phenylmethoxy-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-phenylmethoxypyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(3-benzoxy-1-benzyl-pyrazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-2-32-26(31)22-13-15-28(16-14-22)25(30)23-18-29(17-20-9-5-3-6-10-20)27-24(23)33-19-21-11-7-4-8-12-21/h3-12,18,22H,2,13-17,19H2,1H3