6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzimidazole-5-carboxylic acid

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-yl-propyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(3-keto-3-pyrrolidino-propyl)benzimidazole-5-carboxylic acid Formula: C21H19BrClFN4O3 MolecularWeight: 509.755963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCN2C=NC3=C2C=C(C(=C3F)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CCN2C=NC3=C2C=C(C(=C3F)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

InChI

InChI=1S/C21H19BrClFN4O3/c22-12-3-4-15(14(23)9-12)26-19-13(21(30)31)10-16-20(18(19)24)25-11-28(16)8-5-17(29)27-6-1-2-7-27/h3-4,9-11,26H,1-2,5-8H2,(H,30,31)