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

Systemtic Name: 1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[(3S,5S)-3,5-dimethylpiperidino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CCN2C=C(C=N2)C(=O)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)CCN2C=C(C=N2)C(=O)O)C

InChI

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