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

Systemtic Name: ethyl 3-[(2-methylphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(1-methylpyrazol-4-yl)methyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 3-[(2-methylphenyl)methyl]-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 3-(2-methylbenzyl)-1-[(1-methylpyrazol-4-yl)methyl]nipecotic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2)C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H29N3O2/c1-4-26-20(25)21(12-19-9-6-5-8-17(19)2)10-7-11-24(16-21)15-18-13-22-23(3)14-18/h5-6,8-9,13-14H,4,7,10-12,15-16H2,1-3H3