[2-(4-octoxyphenyl)pyrimidin-5-yl] octyl carbonate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octyl carbonate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octyl carbonate CAS Name: carbonic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] octyl ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] octyl carbonate Traditional Name: carbonic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] octyl ester Formula: C27H40N2O4 MolecularWeight: 456.6175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)OCCCCCCCC

InChI

InChI=1S/C27H40N2O4/c1-3-5-7-9-11-13-19-31-24-17-15-23(16-18-24)26-28-21-25(22-29-26)33-27(30)32-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3