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

Systemtic Name: ethyl 1-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-benzyl-3-(3-methoxyphenyl)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=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-3-33-26(31)20-12-14-28(15-13-20)25(30)23-18-29(17-19-8-5-4-6-9-19)27-24(23)21-10-7-11-22(16-21)32-2/h4-11,16,18,20H,3,12-15,17H2,1-2H3