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

Systemtic Name: ethyl 1-(1-ethylpyrazol-4-yl)carbonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(1-ethylpyrazole-4-carbonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CC3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CC3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C22H29N3O4/c1-4-25-16-18(15-23-25)20(26)24-12-10-22(11-13-24,21(27)29-5-2)14-17-6-8-19(28-3)9-7-17/h6-9,15-16H,4-5,10-14H2,1-3H3