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

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C29H44N2O4 MolecularWeight: 484.67066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O4/c1-3-5-7-9-11-13-20-33-22-19-28(32)35-26-17-15-25(16-18-26)29-30-23-27(24-31-29)34-21-14-12-10-8-6-4-2/h15-18,23-24H,3-14,19-22H2,1-2H3