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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-3-5-7-8-9-11-18-30-19-17-25(29)31-24-15-13-23(14-16-24)26-27-20-22(21-28-26)12-10-6-4-2/h13-16,20-21H,3-12,17-19H2,1-2H3