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

Systemtic Name: 5-butanoyl-6-methoxy-1-methyl-benzimidazole-2-carboxylic acid Openeye Name: 5-butanoyl-6-methoxy-1-methyl-benzimidazole-2-carboxylic acid CAS Name: 6-methoxy-1-methyl-5-(1-oxobutyl)-2-benzimidazolecarboxylic acid IUPAC Name: 5-butanoyl-6-methoxy-1-methylbenzimidazole-2-carboxylic acid Traditional Name: 5-butyryl-6-methoxy-1-methyl-benzimidazole-2-carboxylic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1OC)N(C(=N2)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1OC)N(C(=N2)C(=O)O)C

InChI

InChI=1S/C14H16N2O4/c1-4-5-11(17)8-6-9-10(7-12(8)20-3)16(2)13(15-9)14(18)19/h6-7H,4-5H2,1-3H3,(H,18,19)