[4-(5-nonoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate

Systemtic Name: [4-(5-nonoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate Openeye Name: [4-(5-nonoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate CAS Name: 3-butoxypropanoic acid [4-(5-nonoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonoxypyrimidin-2-yl)phenyl] 3-butoxypropanoate Traditional Name: 3-butoxypropionic acid [4-(5-nonoxypyrimidin-2-yl)phenyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCOCCCC

InChI

InChI=1S/C26H38N2O4/c1-3-5-7-8-9-10-11-18-31-24-20-27-26(28-21-24)22-12-14-23(15-13-22)32-25(29)16-19-30-17-6-4-2/h12-15,20-21H,3-11,16-19H2,1-2H3