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

Systemtic Name: 2-(2-dimethylaminoethyl)-7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(2-dimethylaminoethyl)-7-fluoro-6-(4-iodo-2-methyl-anilino)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-(2-dimethylaminoethyl)-7-fluoro-6-(4-iodo-2-methylanilino)-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(2-dimethylaminoethyl)-7-fluoro-6-(4-iodo-2-methylanilino)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-(2-dimethylaminoethyl)-7-fluoro-6-(4-iodo-2-methyl-anilino)-3H-benzimidazole-5-carboxylic acid Formula: C19H20FIN4O2 MolecularWeight: 482.290573

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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)CCN(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20FIN4O2/c1-10-8-11(21)4-5-13(10)23-17-12(19(26)27)9-14-18(16(17)20)24-15(22-14)6-7-25(2)3/h4-5,8-9,23H,6-7H2,1-3H3,(H,22,24)(H,26,27)