1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]nipecotic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H20N4O3/c1-8-12(9(2)16-15-8)14-11(18)7-17-5-3-4-10(6-17)13(19)20/h10H,3-7H2,1-2H3,(H,14,18)(H,15,16)(H,19,20)