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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(5-methyl-1H-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3/c1-3-27-19(26)20(12-15-6-4-7-16(21)11-15)8-5-9-24(13-20)18(25)17-10-14(2)22-23-17/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3,(H,22,23)/t20-/m0/s1