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

Systemtic Name: 5-butanoyl-6-methyl-1H-benzimidazole-2-carboxylic acid Openeye Name: 5-butanoyl-6-methyl-1H-benzimidazole-2-carboxylic acid CAS Name: 6-methyl-5-(1-oxobutyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 5-butanoyl-6-methyl-1H-benzimidazole-2-carboxylic acid Traditional Name: 5-butyryl-6-methyl-1H-benzimidazole-2-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1C)NC(=N2)C(=O)O

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1C)NC(=N2)C(=O)O

InChI

InChI=1S/C13H14N2O3/c1-3-4-11(16)8-6-10-9(5-7(8)2)14-12(15-10)13(17)18/h5-6H,3-4H2,1-2H3,(H,14,15)(H,17,18)