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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C=O)Cl)Br

Isomeric SMILES

CCCC(C1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC)C=O)Cl)Br

InChI

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