1-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)N2C=C(C=N2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)[C@@H](C)N2C=C(C=N2)C(=O)[O-])C

InChI

InChI=1S/C14H21N3O3/c1-9-4-10(2)7-16(6-9)13(18)11(3)17-8-12(5-15-17)14(19)20/h5,8-11H,4,6-7H2,1-3H3,(H,19,20)/p-1/t9-,10-,11+/m0/s1