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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-octoxypropanoate CAS Name: 3-octoxypropanoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-octoxypropanoate Traditional Name: 3-octoxypropionic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCCCCCC

InChI

InChI=1S/C30H46N2O3/c1-3-5-7-9-11-12-14-16-26-24-31-30(32-25-26)27-17-19-28(20-18-27)35-29(33)21-23-34-22-15-13-10-8-6-4-2/h17-20,24-25H,3-16,21-23H2,1-2H3