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

Systemtic Name: 2-dimethylaminoethyl 4-[[6-(azepan-1-ylcarbonyl)-2-methyl-benzimidazol-1-yl]methyl]benzoate Openeye Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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 2-dimethylaminoethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3/c1-20-28-24-13-12-23(26(32)30-14-6-4-5-7-15-30)18-25(24)31(20)19-21-8-10-22(11-9-21)27(33)34-17-16-29(2)3/h8-13,18H,4-7,14-17,19H2,1-3H3