1-[2-(4-octylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-hexoxypropanoate

Systemtic Name: 1-[2-(4-octylphenyl)-4-phenyl-pyrimidin-5-yl]oxypropan-2-yl 2-hexoxypropanoate Openeye Name: [1-methyl-2-[2-(4-octylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-ethyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid 1-[[2-(4-octylphenyl)-4-phenyl-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-(4-octylphenyl)-4-phenylpyrimidin-5-yl]oxypropan-2-yl 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [1-methyl-2-[2-(4-octylphenyl)-4-phenyl-pyrimidin-5-yl]oxy-ethyl] ester Formula: C36H50N2O4 MolecularWeight: 574.7932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCCCCC

InChI

InChI=1S/C36H50N2O4/c1-5-7-9-11-12-14-18-30-21-23-32(24-22-30)35-37-26-33(34(38-35)31-19-15-13-16-20-31)41-27-28(3)42-36(39)29(4)40-25-17-10-8-6-2/h13,15-16,19-24,26,28-29H,5-12,14,17-18,25,27H2,1-4H3