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

Systemtic Name: ethyl 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCCC(C2)(CC3=CC=CC=C3C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCCC(C2)(CC3=CC=CC=C3C)C(=O)OCC

InChI

InChI=1S/C23H33N3O2/c1-5-26-16-21(19(4)24-26)15-25-13-9-12-23(17-25,22(27)28-6-2)14-20-11-8-7-10-18(20)3/h7-8,10-11,16H,5-6,9,12-15,17H2,1-4H3