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

Systemtic Name: 6-[(4-bromanyl-2-chloranyl-phenyl)amino]-7-fluoranyl-3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(tetrahydropyran-2-ylmethyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(2-oxanylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-chloro-anilino)-7-fluoro-3-(tetrahydropyran-2-ylmethyl)benzimidazole-5-carboxylic acid Formula: C20H18BrClFN3O3 MolecularWeight: 482.730623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C=NC3=C2C=C(C(=C3F)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

Isomeric SMILES

C1CCOC(C1)CN2C=NC3=C2C=C(C(=C3F)NC4=C(C=C(C=C4)Br)Cl)C(=O)O

InChI

InChI=1S/C20H18BrClFN3O3/c21-11-4-5-15(14(22)7-11)25-18-13(20(27)28)8-16-19(17(18)23)24-10-26(16)9-12-3-1-2-6-29-12/h4-5,7-8,10,12,25H,1-3,6,9H2,(H,27,28)