ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[oxo(1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(1H-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3/c1-2-26-18(25)19(10-14-5-3-6-16(20)9-14)7-4-8-23(13-19)17(24)15-11-21-22-12-15/h3,5-6,9,11-12H,2,4,7-8,10,13H2,1H3,(H,21,22)/t19-/m0/s1