7-fluoranyl-2-(2-hydroxyethyl)-6-[(4-iodanyl-2-methyl-phenyl)amino]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 7-fluoranyl-2-(2-hydroxyethyl)-6-[(4-iodanyl-2-methyl-phenyl)amino]-3H-benzimidazole-5-carboxylic acid Openeye Name: 7-fluoro-2-(2-hydroxyethyl)-6-(4-iodo-2-methyl-anilino)-3H-benzimidazole-5-carboxylic acid CAS Name: 7-fluoro-2-(2-hydroxyethyl)-6-(4-iodo-2-methylanilino)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 7-fluoro-2-(2-hydroxyethyl)-6-(4-iodo-2-methylanilino)-3H-benzimidazole-5-carboxylic acid Traditional Name: 7-fluoro-2-(2-hydroxyethyl)-6-(4-iodo-2-methyl-anilino)-3H-benzimidazole-5-carboxylic acid Formula: C17H15FIN3O3 MolecularWeight: 455.222173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)O)NC(=N3)CCO)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)O)NC(=N3)CCO)F

InChI

InChI=1S/C17H15FIN3O3/c1-8-6-9(19)2-3-11(8)21-15-10(17(24)25)7-12-16(14(15)18)22-13(20-12)4-5-23/h2-3,6-7,21,23H,4-5H2,1H3,(H,20,22)(H,24,25)