3-[[2-chloranyl-4-[methyl(pentyl)amino]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[2-chloranyl-4-[methyl(pentyl)amino]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[[2-chloro-4-[methyl(pentyl)amino]phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-chloro-4-[methyl(pentyl)amino]phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[2-chloro-4-[methyl(pentyl)amino]phenyl]methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[4-[amyl(methyl)amino]-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-4-5-6-11-25(3)18-9-7-17(19(23)13-18)14-26-15(2)24-20-10-8-16(22(27)28)12-21(20)26/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,27,28)