[2,2-dimethyl-4-[2-(7-methylnonoxy)-3-pyrimidin-5-yl-phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate

Systemtic Name: [2,2-dimethyl-4-[2-(7-methylnonoxy)-3-pyrimidin-5-yl-phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [2,2-dimethyl-4-[2-(7-methylnonoxy)-3-pyrimidin-5-yl-phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [2,2-dimethyl-4-[2-(7-methylnonoxy)-3-(5-pyrimidinyl)phenyl]-1,3-dioxolan-4-yl] ester IUPAC Name: [2,2-dimethyl-4-[2-(7-methylnonoxy)-3-pyrimidin-5-ylphenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [2,2-dimethyl-4-[2-(7-methylnonoxy)-3-(5-pyrimidyl)phenyl]-1,3-dioxolan-4-yl] ester Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCOC1=C(C=CC=C1C2(COC(O2)(C)C)OC(=O)O)C3=CN=CN=C3

Isomeric SMILES

CCC(C)CCCCCCOC1=C(C=CC=C1C2(COC(O2)(C)C)OC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C26H36N2O6/c1-5-19(2)11-8-6-7-9-14-31-23-21(20-15-27-18-28-16-20)12-10-13-22(23)26(33-24(29)30)17-32-25(3,4)34-26/h10,12-13,15-16,18-19H,5-9,11,14,17H2,1-4H3,(H,29,30)