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

Systemtic Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [4-[4-(5-hexyl-2-pyrimidinyl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester IUPAC Name: [4-[4-(5-hexylpyrimidin-2-yl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[4-(5-hexylpyrimidin-2-yl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(COC(O3)(C)C)OC(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(COC(O3)(C)C)OC(=O)O

InChI

InChI=1S/C22H28N2O5/c1-4-5-6-7-8-16-13-23-19(24-14-16)17-9-11-18(12-10-17)22(28-20(25)26)15-27-21(2,3)29-22/h9-14H,4-8,15H2,1-3H3,(H,25,26)