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

Systemtic Name: 6-[(4-bromanyl-2-methyl-phenyl)amino]-7-fluoranyl-3-pent-4-enyl-benzimidazole-5-carboxylic acid Openeye Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-pent-4-enyl-benzimidazole-5-carboxylic acid CAS Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-pent-4-enyl-5-benzimidazolecarboxylic acid IUPAC Name: 6-(4-bromo-2-methylanilino)-7-fluoro-3-pent-4-enylbenzimidazole-5-carboxylic acid Traditional Name: 6-(4-bromo-2-methyl-anilino)-7-fluoro-3-pent-4-enyl-benzimidazole-5-carboxylic acid Formula: C20H19BrFN3O2 MolecularWeight: 432.286163

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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=C)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFN3O2/c1-3-4-5-8-25-11-23-19-16(25)10-14(20(26)27)18(17(19)22)24-15-7-6-13(21)9-12(15)2/h3,6-7,9-11,24H,1,4-5,8H2,2H3,(H,26,27)