[4-(5-pentoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate

Systemtic Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-pentoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-amoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCC

Isomeric SMILES

CCCCCCCCOCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCC

InChI

InChI=1S/C26H38N2O4/c1-3-5-7-8-9-11-17-30-19-16-25(29)32-23-14-12-22(13-15-23)26-27-20-24(21-28-26)31-18-10-6-4-2/h12-15,20-21H,3-11,16-19H2,1-2H3