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

Systemtic Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]pyrazole-3-carboxylate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C=CC(=N2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)CN2C=CC(=N2)C(=O)[O-])C

InChI

InChI=1S/C13H19N3O3/c1-9-5-10(2)7-15(6-9)12(17)8-16-4-3-11(14-16)13(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)/p-1/t9-,10-/m0/s1