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

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

CCCC(C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Cl)Br

Isomeric SMILES

CCCC(C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C=O)Cl)Br

InChI

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