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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2/c1-3-4-5-6-7-16-8-9-18(19(23)12-16)14-25-15(2)24-20-11-10-17(22(26)27)13-21(20)25/h6-13H,3-5,14H2,1-2H3,(H,26,27)/b7-6+