[4-(5-heptoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate

Systemtic Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate Openeye Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [4-(5-heptoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptoxypyrimidin-2-yl)phenyl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [4-(5-heptoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C26H38N2O4/c1-4-6-8-10-12-18-31-24-19-27-25(28-20-24)22-13-15-23(16-14-22)32-26(29)21(3)30-17-11-9-7-5-2/h13-16,19-21H,4-12,17-18H2,1-3H3