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

Systemtic Name: 3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbonylpyrazol-1-yl]propanoate Openeye Name: 3-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propanoate CAS Name: 3-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrazol-1-yl]propionate Formula: C14H20N3O3- MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-10-5-11(2)8-16(7-10)14(20)12-6-15-17(9-12)4-3-13(18)19/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,19)/p-1/t10-,11-/m0/s1