ethyl (3R)-1-(1-ethylpyrazol-4-yl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(1-ethylpyrazol-4-yl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-benzyl-1-(1-ethylpyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCC[C@](C2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H27N3O3/c1-3-24-15-18(14-22-24)19(25)23-12-8-11-21(16-23,20(26)27-4-2)13-17-9-6-5-7-10-17/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3/t21-/m1/s1