methyl 4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]-2,3-bis(chloranyl)benzoate

Systemtic Name: methyl 4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]-2,3-bis(chloranyl)benzoate Openeye Name: methyl 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]-2,3-dichloro-benzoate CAS Name: 4-[(2-butyl-5-formyl-4-iodo-1-imidazolyl)methyl]-2,3-dichlorobenzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-5-formyl-4-iodoimidazol-1-yl)methyl]-2,3-dichlorobenzoate Traditional Name: 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]-2,3-dichloro-benzoic acid methyl ester Formula: C17H17Cl2IN2O3 MolecularWeight: 495.13895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C(C(=C(C=C2)C(=O)OC)Cl)Cl)C=O)I

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C(C(=C(C=C2)C(=O)OC)Cl)Cl)C=O)I

InChI

InChI=1S/C17H17Cl2IN2O3/c1-3-4-5-13-21-16(20)12(9-23)22(13)8-10-6-7-11(17(24)25-2)15(19)14(10)18/h6-7,9H,3-5,8H2,1-2H3