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

Systemtic Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1R)-2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)N2C=CC(=N2)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-9-6-10(2)8-16(7-9)13(18)11(3)17-5-4-12(15-17)14(19)20/h4-5,9-11H,6-8H2,1-3H3,(H,19,20)/t9-,10-,11+/m0/s1