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

Systemtic Name: 2-[4-[[[5-(hydroxymethyl)-1H-imidazol-4-yl]carbonylamino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[[5-(hydroxymethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[[[5-(hydroxymethyl)-1H-imidazol-4-yl]-oxomethyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[[5-(hydroxymethyl)-1H-imidazole-4-carbonyl]amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(5-methylol-1H-imidazole-4-carbonyl)amino]methyl]phenyl]benzoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c23-10-16-17(22-11-21-16)18(24)20-9-12-5-7-13(8-6-12)14-3-1-2-4-15(14)19(25)26/h1-8,11,23H,9-10H2,(H,20,24)(H,21,22)(H,25,26)