3-ethyl-2-(1H-pyrazol-5-ylcarbonyl)octanoic acid

Systemtic Name: 3-ethyl-2-(1H-pyrazol-5-ylcarbonyl)octanoic acid Openeye Name: 3-ethyl-2-(1H-pyrazole-5-carbonyl)octanoic acid CAS Name: 3-ethyl-2-[oxo(1H-pyrazol-5-yl)methyl]octanoic acid IUPAC Name: 3-ethyl-2-(1H-pyrazole-5-carbonyl)octanoic acid Traditional Name: 3-ethyl-2-(1H-pyrazole-5-carbonyl)caprylic acid Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CC=NN1)C(=O)O

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CC=NN1)C(=O)O

InChI

InChI=1S/C14H22N2O3/c1-3-5-6-7-10(4-2)12(14(18)19)13(17)11-8-9-15-16-11/h8-10,12H,3-7H2,1-2H3,(H,15,16)(H,18,19)