(5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate; 2-methyloxane

Systemtic Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate; 2-methyloxane Openeye Name: (5-ethoxy-4-phenyl-pyrimidin-2-yl) 6-methyloctanoate; 2-methyltetrahydropyran CAS Name: 6-methyloctanoic acid (5-ethoxy-4-phenyl-2-pyrimidinyl) ester; 2-methyloxane IUPAC Name: (5-ethoxy-4-phenylpyrimidin-2-yl) 6-methyloctanoate; 2-methyloxane Traditional Name: 6-methylcaprylic acid (5-ethoxy-4-phenyl-pyrimidin-2-yl) ester; 2-methyltetrahydropyran Formula: C27H40N2O4 MolecularWeight: 456.6175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3.C6H12O/c1-4-16(3)11-9-10-14-19(24)26-21-22-15-18(25-5-2)20(23-21)17-12-7-6-8-13-17;1-6-4-2-3-5-7-6/h6-8,12-13,15-16H,4-5,9-11,14H2,1-3H3;6H,2-5H2,1H3