ethyl 1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(2-ethyl-5-methyl-pyrazole-3-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H33N3O3/c1-4-27-21(18-19(3)25-27)22(28)26-16-14-24(15-17-26,23(29)30-5-2)13-9-12-20-10-7-6-8-11-20/h6-8,10-11,18H,4-5,9,12-17H2,1-3H3