[4-(5-octylpyrimidin-2-yl)phenyl] nonanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] nonanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] nonanoate CAS Name: nonanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] nonanoate Traditional Name: pelargonic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCC

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-11-13-15-23-21-28-27(29-22-23)24-17-19-25(20-18-24)31-26(30)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3