[4-(2-oxidanylbut-3-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate

Systemtic Name: [4-(2-oxidanylbut-3-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate Openeye Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate CAS Name: 4-(2-ethynyldioxy-5-pyrimidinyl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester IUPAC Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate Traditional Name: 4-(2-ethynylperoxypyrimidin-5-yl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester Formula: C23H16N2O5 MolecularWeight: 400.38354

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CN=C(N=C3)OOC#C)O

Isomeric SMILES

C#CC(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CN=C(N=C3)OOC#C)O

InChI

InChI=1S/C23H16N2O5/c1-3-20(26)13-16-5-11-21(12-6-16)29-22(27)18-9-7-17(8-10-18)19-14-24-23(25-15-19)30-28-4-2/h1-2,5-12,14-15,20,26H,13H2