1-[4-phenyl-2-(4-undecoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate

Systemtic Name: 1-[4-phenyl-2-(4-undecoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate Openeye Name: [1-methyl-2-[4-phenyl-2-(4-undecoxyphenyl)pyrimidin-5-yl]oxy-ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[[4-phenyl-2-(4-undecoxyphenyl)-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-phenyl-2-(4-undecoxyphenyl)pyrimidin-5-yl]oxypropan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [1-methyl-2-[4-phenyl-2-(4-undecoxyphenyl)pyrimidin-5-yl]oxy-ethyl] ester Formula: C36H50N2O5 MolecularWeight: 590.7926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=CC=C3)OCC(C)OC(=O)C(C)OCCC

InChI

InChI=1S/C36H50N2O5/c1-5-7-8-9-10-11-12-13-17-25-41-32-22-20-31(21-23-32)35-37-26-33(34(38-35)30-18-15-14-16-19-30)42-27-28(3)43-36(39)29(4)40-24-6-2/h14-16,18-23,26,28-29H,5-13,17,24-25,27H2,1-4H3