ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2C)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2C)C)CC3=CC=CC=C3C

InChI

InChI=1S/C22H31N3O2/c1-5-27-21(26)22(13-19-10-7-6-9-17(19)2)11-8-12-25(16-22)15-20-14-24(4)23-18(20)3/h6-7,9-10,14H,5,8,11-13,15-16H2,1-4H3