5-butanoyl-1-methyl-6-oxidanyl-benzimidazole-2-carboxylic acid

Systemtic Name: 5-butanoyl-1-methyl-6-oxidanyl-benzimidazole-2-carboxylic acid Openeye Name: 5-butanoyl-6-hydroxy-1-methyl-benzimidazole-2-carboxylic acid CAS Name: 6-hydroxy-1-methyl-5-(1-oxobutyl)-2-benzimidazolecarboxylic acid IUPAC Name: 5-butanoyl-6-hydroxy-1-methylbenzimidazole-2-carboxylic acid Traditional Name: 5-butyryl-6-hydroxy-1-methyl-benzimidazole-2-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1O)N(C(=N2)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1O)N(C(=N2)C(=O)O)C

InChI

InChI=1S/C13H14N2O4/c1-3-4-10(16)7-5-8-9(6-11(7)17)15(2)12(14-8)13(18)19/h5-6,17H,3-4H2,1-2H3,(H,18,19)