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

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-(4-oxidanylidenebutyl)benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-(4-oxobutyl)benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-(4-oxobutyl)-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-(4-oxobutyl)benzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-(4-ketobutyl)benzimidazole-5-carboxylic acid Formula: C19H17BrFN3O3 MolecularWeight: 434.258983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCC=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2=C(C3=C(C=C2C(=O)O)N(C=N3)CCCC=O)F

InChI

InChI=1S/C19H17BrFN3O3/c1-11-8-12(20)4-5-14(11)23-17-13(19(26)27)9-15-18(16(17)21)22-10-24(15)6-2-3-7-25/h4-5,7-10,23H,2-3,6H2,1H3,(H,26,27)