(5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate

Systemtic Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate Openeye Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 3-methylpentanoate CAS Name: 3-methylpentanoic acid (5-ethoxy-4-phenyl-2-pyrimidinyl) ester IUPAC Name: (5-ethoxy-4-phenylpyrimidin-2-yl) 3-methylpentanoate Traditional Name: 3-methylvaleric acid (5-ethoxy-4-phenyl-pyrimidin-2-yl) ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC

Isomeric SMILES

CCC(C)CC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC

InChI

InChI=1S/C18H22N2O3/c1-4-13(3)11-16(21)23-18-19-12-15(22-5-2)17(20-18)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3