2-[4-[[5-(hydroxymethyl)-1H-imidazol-4-yl]carbonyloxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-(hydroxymethyl)-1H-imidazol-4-yl]carbonyloxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(hydroxymethyl)-1H-imidazole-4-carbonyl]oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[[5-(hydroxymethyl)-1H-imidazol-4-yl]-oxomethoxy]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(hydroxymethyl)-1H-imidazole-4-carbonyl]oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-methylol-1H-imidazole-4-carbonyl)oxymethyl]phenyl]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3=C(NC=N3)CO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)C3=C(NC=N3)CO)C(=O)O

InChI

InChI=1S/C19H16N2O5/c22-9-16-17(21-11-20-16)19(25)26-10-12-5-7-13(8-6-12)14-3-1-2-4-15(14)18(23)24/h1-8,11,22H,9-10H2,(H,20,21)(H,23,24)