ethyl 4-[[4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-methylphenyl)-4-oxidanyl-piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[4-hydroxy-4-(o-tolyl)-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[4-hydroxy-4-(2-methylphenyl)-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[4-hydroxy-4-(o-tolyl)piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCC(CC2)(C3=CC=CC=C3C)O

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC(CC2)(C3=CC=CC=C3C)O

InChI

InChI=1S/C19H25N3O3/c1-3-25-18(23)17-15(12-20-21-17)13-22-10-8-19(24,9-11-22)16-7-5-4-6-14(16)2/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,20,21)