3-ethyl-2-pyrimidin-4-ylcarbonyl-octanoate

Systemtic Name: 3-ethyl-2-pyrimidin-4-ylcarbonyl-octanoate Openeye Name: 3-ethyl-2-(pyrimidine-4-carbonyl)octanoate CAS Name: 3-ethyl-2-[oxo(4-pyrimidinyl)methyl]octanoate IUPAC Name: 3-ethyl-2-(pyrimidine-4-carbonyl)octanoate Traditional Name: 3-ethyl-2-(pyrimidine-4-carbonyl)caprylate Formula: C15H21N2O3- MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-5-6-7-11(4-2)13(15(19)20)14(18)12-8-9-16-10-17-12/h8-11,13H,3-7H2,1-2H3,(H,19,20)/p-1