1-[4-(5-octoxypyrimidin-2-yl)phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-(5-octoxypyrimidin-2-yl)phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-(5-octoxypyrimidin-2-yl)phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-octoxy-2-pyrimidinyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(5-octoxypyrimidin-2-yl)phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[4-(5-octoxypyrimidin-2-yl)phenoxy]ethyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C26H38N2O4/c1-4-6-8-9-10-11-17-30-24-18-27-26(28-19-24)22-13-15-23(16-14-22)31-20-21(3)32-25(29)12-7-5-2/h13-16,18-19,21H,4-12,17,20H2,1-3H3