[2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate

Systemtic Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate Openeye Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate CAS Name: 6-methyloctanoic acid [2-(2-ethyl-4-pyrimidinyl)phenyl] ester IUPAC Name: [2-(2-ethylpyrimidin-4-yl)phenyl] 6-methyloctanoate Traditional Name: 6-methylcaprylic acid [2-(2-ethylpyrimidin-4-yl)phenyl] ester Formula: C21H28N2O2 MolecularWeight: 340.45922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

Isomeric SMILES

CCC1=NC=CC(=N1)C2=CC=CC=C2OC(=O)CCCCC(C)CC

InChI

InChI=1S/C21H28N2O2/c1-4-16(3)10-6-9-13-21(24)25-19-12-8-7-11-17(19)18-14-15-22-20(5-2)23-18/h7-8,11-12,14-16H,4-6,9-10,13H2,1-3H3