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

Systemtic Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]nipecotic acid ethyl ester Formula: C19H24ClN3O2 MolecularWeight: 361.86576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=CN(N=C2C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H24ClN3O2/c1-3-25-19(24)15-7-5-9-23(12-15)13-16-11-22(2)21-18(16)14-6-4-8-17(20)10-14/h4,6,8,10-11,15H,3,5,7,9,12-13H2,1-2H3/t15-/m0/s1