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

Systemtic Name: 5-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-phenethyl-1H-benzimidazole-4-carboxylic acid Openeye Name: 5-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-phenethyl-1H-benzimidazole-4-carboxylic acid CAS Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-phenethyl-1H-benzimidazole-4-carboxylic acid IUPAC Name: 5-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-phenethyl-1H-benzimidazole-4-carboxylic acid Traditional Name: 5-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-phenethyl-1H-benzimidazole-4-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=C(C=C1)NC(=N2)CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1=C(C2=C(C=C1)NC(=N2)CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-20(2,19(25)26)13-9-10-14-17(16(13)18(23)24)22-15(21-14)11-8-12-6-4-3-5-7-12/h3-7,9-10H,8,11H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)