[5-[5-(4-hexoxyphenyl)pyrimidin-2-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] hydrogen carbonate

Systemtic Name: [5-[5-(4-hexoxyphenyl)pyrimidin-2-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [5-[5-(4-hexoxyphenyl)pyrimidin-2-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [5-[5-(4-hexoxyphenyl)-2-pyrimidinyl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] ester IUPAC Name: [5-[5-(4-hexoxyphenyl)pyrimidin-2-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [5-[5-(4-hexoxyphenyl)pyrimidin-2-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolan-4-yl] ester Formula: C28H32N2O6 MolecularWeight: 492.56348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3C(OC(O3)(C)C)(C4=CC=CC=C4)OC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3C(OC(O3)(C)C)(C4=CC=CC=C4)OC(=O)O

InChI

InChI=1S/C28H32N2O6/c1-4-5-6-10-17-33-23-15-13-20(14-16-23)21-18-29-25(30-19-21)24-28(35-26(31)32,36-27(2,3)34-24)22-11-8-7-9-12-22/h7-9,11-16,18-19,24H,4-6,10,17H2,1-3H3,(H,31,32)