ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethylpyrazol-4-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethylpyrazol-4-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(1-ethylpyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-3-25-14-17(13-23-25)19(26)24-10-6-9-21(15-24,20(27)28-4-2)12-16-7-5-8-18(22)11-16/h5,7-8,11,13-14H,3-4,6,9-10,12,15H2,1-2H3/t21-/m0/s1