3-[(2-chloranyl-4-hex-1-en-2-yl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-hex-1-en-2-yl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[[2-chloro-4-(1-methylenepentyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-hex-1-en-2-ylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-hex-1-en-2-ylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[4-(1-butylvinyl)-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCC(=C)C1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-4-5-6-14(2)16-7-8-18(19(23)11-16)13-25-15(3)24-20-10-9-17(22(26)27)12-21(20)25/h7-12H,2,4-6,13H2,1,3H3,(H,26,27)