oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 4-methylhexanoate

Systemtic Name: oxane; (4-phenyl-5-propoxy-pyrimidin-2-yl) 4-methylhexanoate Openeye Name: (4-phenyl-5-propoxy-pyrimidin-2-yl) 4-methylhexanoate; tetrahydropyran CAS Name: 4-methylhexanoic acid (4-phenyl-5-propoxy-2-pyrimidinyl) ester; oxane IUPAC Name: oxane; (4-phenyl-5-propoxypyrimidin-2-yl) 4-methylhexanoate Traditional Name: 4-methylhexanoic acid (4-phenyl-5-propoxy-pyrimidin-2-yl) ester; tetrahydropyran Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC.C1CCOCC1

Isomeric SMILES

CCCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC.C1CCOCC1

InChI

InChI=1S/C20H26N2O3.C5H10O/c1-4-13-24-17-14-21-20(25-18(23)12-11-15(3)5-2)22-19(17)16-9-7-6-8-10-16;1-2-4-6-5-3-1/h6-10,14-15H,4-5,11-13H2,1-3H3;1-5H2