2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]ethanoate Openeye Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetate CAS Name: 2-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrazolyl]acetate IUPAC Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetate Traditional Name: 2-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]acetate Formula: C13H18N3O3- MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CN(N=C2)CC(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN(N=C2)CC(=O)[O-])C

InChI

InChI=1S/C13H19N3O3/c1-9-3-10(2)6-15(5-9)13(19)11-4-14-16(7-11)8-12(17)18/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,17,18)/p-1/t9-,10-/m0/s1