[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O3/c1-5-20-8-6-7-13-25(20)21(27)15-29-23(28)22-17(3)24-26(18(22)4)14-19-11-9-16(2)10-12-19/h9-12,20H,5-8,13-15H2,1-4H3/t20-/m0/s1