4-[[6-(azepan-1-ylcarbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(azepan-1-ylcarbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(azepane-1-carbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[1-azepanyl(oxo)methyl]-2-methyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(azepane-1-carbonyl)-2-methylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(azepane-1-carbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O3/c1-16-24-20-11-10-19(22(27)25-12-4-2-3-5-13-25)14-21(20)26(16)15-17-6-8-18(9-7-17)23(28)29/h6-11,14H,2-5,12-13,15H2,1H3,(H,28,29)