5-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phenyl-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 5-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phenyl-1H-benzimidazole-4-carboxylic acid Openeye Name: 5-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-phenyl-1H-benzimidazole-4-carboxylic acid CAS Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-phenyl-1H-benzimidazole-4-carboxylic acid IUPAC Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-phenyl-1H-benzimidazole-4-carboxylic acid Traditional Name: 5-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-phenyl-1H-benzimidazole-4-carboxylic acid Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=C(C=C1)NC(=N2)C3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=C(C2=C(C=C1)NC(=N2)C3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O4/c1-18(2,17(23)24)11-8-9-12-14(13(11)16(21)22)20-15(19-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20)(H,21,22)(H,23,24)