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

Systemtic Name: [4-[5-(4-hexylphenyl)-2-pyrimidin-2-yl-phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Openeye Name: [4-[5-(4-hexylphenyl)-2-pyrimidin-2-yl-phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate CAS Name: carbonic acid [4-[5-(4-hexylphenyl)-2-(2-pyrimidinyl)phenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] ester IUPAC Name: [4-[5-(4-hexylphenyl)-2-pyrimidin-2-ylphenyl]-2,2-dimethyl-1,3-dioxolan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[5-(4-hexylphenyl)-2-(2-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=CC(=C(C=C2)C3=NC=CC=N3)C4(COC(O4)(C)C)OC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=NC=CC=N3)C4(COC(O4)(C)C)OC(=O)O

InChI

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