6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-(4-chloranylbutyl)-7-fluoranyl-benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-3-(4-chloranylbutyl)-7-fluoranyl-benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-3-(4-chlorobutyl)-7-fluoro-benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-chloroanilino)-3-(4-chlorobutyl)-7-fluoro-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-3-(4-chlorobutyl)-7-fluorobenzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-3-(4-chlorobutyl)-7-fluoro-benzimidazole-5-carboxylic acid Formula: C18H15BrCl2FN3O2 MolecularWeight: 475.139003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCCl)F

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCCCl)F

InChI

InChI=1S/C18H15BrCl2FN3O2/c19-10-3-4-13(12(21)7-10)24-16-11(18(26)27)8-14-17(15(16)22)23-9-25(14)6-2-1-5-20/h3-4,7-9,24H,1-2,5-6H2,(H,26,27)