[5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 4-methylhexanoate

Systemtic Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 4-methylhexanoate Openeye Name: [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [5-(heptoxymethoxy)-4-phenyl-2-pyrimidinyl] ester IUPAC Name: [5-(heptoxymethoxy)-4-phenylpyrimidin-2-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [5-(heptoxymethoxy)-4-phenyl-pyrimidin-2-yl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCOCOC1=CN=C(N=C1C2=CC=CC=C2)OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O4/c1-4-6-7-8-12-17-29-19-30-22-18-26-25(31-23(28)16-15-20(3)5-2)27-24(22)21-13-10-9-11-14-21/h9-11,13-14,18,20H,4-8,12,15-17,19H2,1-3H3