3-ethyl-2-pyrimidin-2-ylcarbonyl-octanoic acid

Systemtic Name: 3-ethyl-2-pyrimidin-2-ylcarbonyl-octanoic acid Openeye Name: 3-ethyl-2-(pyrimidine-2-carbonyl)octanoic acid CAS Name: 3-ethyl-2-[oxo(2-pyrimidinyl)methyl]octanoic acid IUPAC Name: 3-ethyl-2-(pyrimidine-2-carbonyl)octanoic acid Traditional Name: 3-ethyl-2-(pyrimidine-2-carbonyl)caprylic acid Formula: C15H22N2O3 MolecularWeight: 278.34678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=NC=CC=N1)C(=O)O

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=NC=CC=N1)C(=O)O

InChI

InChI=1S/C15H22N2O3/c1-3-5-6-8-11(4-2)12(15(19)20)13(18)14-16-9-7-10-17-14/h7,9-12H,3-6,8H2,1-2H3,(H,19,20)