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

Systemtic Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-butoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-butoxypyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-butoxypyrimidin-2-yl)phenyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4/c1-3-5-7-8-9-10-16-29-18-15-24(28)31-22-13-11-21(12-14-22)25-26-19-23(20-27-25)30-17-6-4-2/h11-14,19-20H,3-10,15-18H2,1-2H3