1-pentan-3-ylbenzimidazole-5-carboxylic acid

Systemtic Name: 1-pentan-3-ylbenzimidazole-5-carboxylic acid Openeye Name: 1-(1-ethylpropyl)benzimidazole-5-carboxylic acid CAS Name: 1-pentan-3-yl-5-benzimidazolecarboxylic acid IUPAC Name: 1-pentan-3-ylbenzimidazole-5-carboxylic acid Traditional Name: 1-(1-ethylpropyl)benzimidazole-5-carboxylic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1C=CC(=C2)C(=O)O

Isomeric SMILES

CCC(CC)N1C=NC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16N2O2/c1-3-10(4-2)15-8-14-11-7-9(13(16)17)5-6-12(11)15/h5-8,10H,3-4H2,1-2H3,(H,16,17)