1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]pyrazole-4-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C12H17N3O3/c1-9-4-2-3-5-15(9)11(16)8-14-7-10(6-13-14)12(17)18/h6-7,9H,2-5,8H2,1H3,(H,17,18)/t9-/m0/s1