[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[(2R,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[(2R,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H23N3O3/c1-13-7-6-8-14(2)22(13)18(23)12-25-19(24)17-11-16(20-21-17)15-9-4-3-5-10-15/h3-5,9-11,13-14H,6-8,12H2,1-2H3,(H,20,21)/t13-,14+