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

Systemtic Name: [2,2-dimethyl-4-[4-(5-undecylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [2,2-dimethyl-4-[4-(5-undecylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [2,2-dimethyl-4-[4-(5-undecyl-2-pyrimidinyl)phenyl]-1,3-dioxolan-4-yl] ester IUPAC Name: [2,2-dimethyl-4-[4-(5-undecylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [2,2-dimethyl-4-[4-(5-undecylpyrimidin-2-yl)phenyl]-1,3-dioxolan-4-yl] ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(COC(O3)(C)C)OC(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(COC(O3)(C)C)OC(=O)O

InChI

InChI=1S/C27H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-21-18-28-24(29-19-21)22-14-16-23(17-15-22)27(33-25(30)31)20-32-26(2,3)34-27/h14-19H,4-13,20H2,1-3H3,(H,30,31)