ethyl (3R)-3-(phenylmethyl)-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-3-(phenylmethyl)-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-1-[oxo(1H-pyrazol-4-yl)methyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-benzyl-1-(1H-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CNN=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CNN=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3/c1-2-25-18(24)19(11-15-7-4-3-5-8-15)9-6-10-22(14-19)17(23)16-12-20-21-13-16/h3-5,7-8,12-13H,2,6,9-11,14H2,1H3,(H,20,21)/t19-/m1/s1