ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,5-dimethylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,5-dimethylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(1,5-dimethylpyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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