methyl 2-[4-[[2-(2-bromanylbutyl)-4-chloranyl-5-methanoyl-imidazol-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[2-(2-bromanylbutyl)-4-chloranyl-5-methanoyl-imidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[2-(2-bromobutyl)-4-chloro-5-formyl-imidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-(2-bromobutyl)-4-chloro-5-formyl-1-imidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-(2-bromobutyl)-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-(2-bromobutyl)-4-chloro-5-formyl-imidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C23H22BrClN2O3 MolecularWeight: 489.78938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Cl)Br

Isomeric SMILES

CCC(CC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Cl)Br

InChI

InChI=1S/C23H22BrClN2O3/c1-3-17(24)12-21-26-22(25)20(14-28)27(21)13-15-8-10-16(11-9-15)18-6-4-5-7-19(18)23(29)30-2/h4-11,14,17H,3,12-13H2,1-2H3