ethyl (3R)-1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(5-ethyl-2-methylpyrazole-3-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3C)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CCC[C@](C2)(CC3=CC=CC=C3C)C(=O)OCC)C

InChI

InChI=1S/C23H31N3O3/c1-5-19-14-20(25(4)24-19)21(27)26-13-9-12-23(16-26,22(28)29-6-2)15-18-11-8-7-10-17(18)3/h7-8,10-11,14H,5-6,9,12-13,15-16H2,1-4H3/t23-/m1/s1