ethyl 1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5-methyl-1H-pyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-methyl-1H-pyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: 1-(5-methyl-1H-pyrazole-3-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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