1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C=C(C=N2)C(=O)O)C

Isomeric SMILES

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

InChI

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