2-ethyl-1-(3-iodanylphenyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-ethyl-1-(3-iodanylphenyl)benzimidazole-5-carboxylic acid Openeye Name: 2-ethyl-1-(3-iodophenyl)benzimidazole-5-carboxylic acid CAS Name: 2-ethyl-1-(3-iodophenyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-ethyl-1-(3-iodophenyl)benzimidazole-5-carboxylic acid Traditional Name: 2-ethyl-1-(3-iodophenyl)benzimidazole-5-carboxylic acid Formula: C16H13IN2O2 MolecularWeight: 392.19109

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC(=CC=C3)I)C=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=NC2=C(N1C3=CC(=CC=C3)I)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H13IN2O2/c1-2-15-18-13-8-10(16(20)21)6-7-14(13)19(15)12-5-3-4-11(17)9-12/h3-9H,2H2,1H3,(H,20,21)