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

Systemtic Name: [5-ethyl-2,2-dimethyl-4-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [5-ethyl-2,2-dimethyl-4-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [5-ethyl-2,2-dimethyl-4-[4-(5-octyl-2-pyrimidinyl)phenyl]-1,3-dioxolan-4-yl] ester IUPAC Name: [5-ethyl-2,2-dimethyl-4-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [5-ethyl-2,2-dimethyl-4-[4-(5-octylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(C(OC(O3)(C)C)CC)OC(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(C(OC(O3)(C)C)CC)OC(=O)O

InChI

InChI=1S/C26H36N2O5/c1-5-7-8-9-10-11-12-19-17-27-23(28-18-19)20-13-15-21(16-14-20)26(32-24(29)30)22(6-2)31-25(3,4)33-26/h13-18,22H,5-12H2,1-4H3,(H,29,30)