2-[4-[2-(4-chloranylpyrimidin-5-yl)ethanoyloxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[2-(4-chloranylpyrimidin-5-yl)ethanoyloxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-(4-chloropyrimidin-5-yl)acetyl]oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-(4-chloro-5-pyrimidinyl)-1-oxoethoxy]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-(4-chloropyrimidin-5-yl)acetyl]oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-(4-chloropyrimidin-5-yl)acetyl]oxymethyl]phenyl]benzoic acid Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)CC3=CN=CN=C3Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)CC3=CN=CN=C3Cl)C(=O)O

InChI

InChI=1S/C20H15ClN2O4/c21-19-15(10-22-12-23-19)9-18(24)27-11-13-5-7-14(8-6-13)16-3-1-2-4-17(16)20(25)26/h1-8,10,12H,9,11H2,(H,25,26)