3-[(2S)-2-ethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(2S)-2-ethylpiperidin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-[[(2S)-2-ethyl-1-piperidinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=NN(C=C2C(=O)O)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C13H19N3O3/c1-3-9-6-4-5-7-16(9)12(17)11-10(13(18)19)8-15(2)14-11/h8-9H,3-7H2,1-2H3,(H,18,19)/t9-/m0/s1