methyl 7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-3-methyl-1-prop-2-enyl-2H-benzimidazole-5-carboxylate iodide

Systemtic Name: methyl 7-fluoranyl-6-[(4-iodanyl-2-methyl-phenyl)amino]-3-methyl-1-prop-2-enyl-2H-benzimidazole-5-carboxylate iodide Openeye Name: methyl 1-allyl-7-fluoro-6-(4-iodo-2-methyl-anilino)-3-methyl-2H-benzimidazole-5-carboxylate iodide CAS Name: 7-fluoro-6-(4-iodo-2-methylanilino)-3-methyl-1-prop-2-enyl-2H-benzimidazole-5-carboxylic acid methyl ester iodide IUPAC Name: methyl 7-fluoro-6-(4-iodo-2-methylanilino)-3-methyl-1-prop-2-enyl-2H-benzimidazole-5-carboxylate iodide Traditional Name: 1-allyl-7-fluoro-6-(4-iodo-2-methyl-anilino)-3-methyl-2H-benzimidazole-5-carboxylic acid methyl ester iodide Formula: C20H21FI2N3O2- MolecularWeight: 608.206983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)OC)N(CN3CC=C)C)F.[I-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C3=C(C=C2C(=O)OC)N(CN3CC=C)C)F.[I-]

InChI

InChI=1S/C20H21FIN3O2.HI/c1-5-8-25-11-24(3)16-10-14(20(26)27-4)18(17(21)19(16)25)23-15-7-6-13(22)9-12(15)2;/h5-7,9-10,23H,1,8,11H2,2-4H3;1H/p-1