ethyl 1-(2-methylpyrazol-3-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylpyrazol-3-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=NN2C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=NN2C)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-3-28-21(27)22(13-7-11-18-9-5-4-6-10-18)14-8-16-25(17-22)20(26)19-12-15-23-24(19)2/h4-6,9-10,12,15H,3,7-8,11,13-14,16-17H2,1-2H3