3-ethyl-2-(1H-pyrazol-4-ylcarbonyl)octanoate

Systemtic Name: 3-ethyl-2-(1H-pyrazol-4-ylcarbonyl)octanoate Openeye Name: 3-ethyl-2-(1H-pyrazole-4-carbonyl)octanoate CAS Name: 3-ethyl-2-[oxo(1H-pyrazol-4-yl)methyl]octanoate IUPAC Name: 3-ethyl-2-(1H-pyrazole-4-carbonyl)octanoate Traditional Name: 3-ethyl-2-(1H-pyrazole-4-carbonyl)caprylate Formula: C14H21N2O3- MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CNN=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CNN=C1)C(=O)[O-]

InChI

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