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

Systemtic Name: [4-[2-(4-hexylphenyl)-3-pyrimidin-5-yl-phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [4-[2-(4-hexylphenyl)-3-pyrimidin-5-yl-phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [4-[2-(4-hexylphenyl)-3-(5-pyrimidinyl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester IUPAC Name: [4-[2-(4-hexylphenyl)-3-pyrimidin-5-ylphenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[2-(4-hexylphenyl)-3-(5-pyrimidyl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C3(COC(O3)(C)C)OC(=O)O)C4=CN=CN=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC=C2C3(COC(O3)(C)C)OC(=O)O)C4=CN=CN=C4

InChI

InChI=1S/C28H32N2O5/c1-4-5-6-7-9-20-12-14-21(15-13-20)25-23(22-16-29-19-30-17-22)10-8-11-24(25)28(34-26(31)32)18-33-27(2,3)35-28/h8,10-17,19H,4-7,9,18H2,1-3H3,(H,31,32)