ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(2-methylpyrazole-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=CC=NN2C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=NN2C)CC3=CC(=CC=C3)Cl

InChI

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