(5-ethoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate; 2-methyloxane

Systemtic Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate; 2-methyloxane Openeye Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 4-methylhexanoate; 2-methyltetrahydropyran CAS Name: 4-methylhexanoic acid (5-ethoxy-4-phenyl-2-pyrimidinyl) ester; 2-methyloxane IUPAC Name: (5-ethoxy-4-phenylpyrimidin-2-yl) 4-methylhexanoate; 2-methyloxane Traditional Name: 4-methylhexanoic acid (5-ethoxy-4-phenyl-pyrimidin-2-yl) ester; 2-methyltetrahydropyran Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1

Isomeric SMILES

CCC(C)CCC(=O)OC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1

InChI

InChI=1S/C19H24N2O3.C6H12O/c1-4-14(3)11-12-17(22)24-19-20-13-16(23-5-2)18(21-19)15-9-7-6-8-10-15;1-6-4-2-3-5-7-6/h6-10,13-14H,4-5,11-12H2,1-3H3;6H,2-5H2,1H3