ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate CAS Name: (3R)-1-[1-oxo-2-(1-pyrazolyl)ethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)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)CN2C=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CN2C=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-2-28-21(27)22(12-6-11-19-9-4-3-5-10-19)13-7-15-24(18-22)20(26)17-25-16-8-14-23-25/h3-5,8-10,14,16H,2,6-7,11-13,15,17-18H2,1H3/t22-/m1/s1