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

Systemtic Name: methyl 4-[[6-(azepan-1-ylcarbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-(azepane-1-carbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[6-[1-azepanyl(oxo)methyl]-2-methyl-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(azepane-1-carbonyl)-2-methylbenzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[6-(azepane-1-carbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-17-25-21-12-11-20(23(28)26-13-5-3-4-6-14-26)15-22(21)27(17)16-18-7-9-19(10-8-18)24(29)30-2/h7-12,15H,3-6,13-14,16H2,1-2H3