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

Systemtic Name: methyl 4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]benzoate CAS Name: 4-[(2-butyl-5-formyl-4-iodo-1-imidazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-5-formyl-4-iodoimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]benzoic acid methyl ester Formula: C17H19IN2O3 MolecularWeight: 426.24883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN2O3/c1-3-4-5-15-19-16(18)14(11-21)20(15)10-12-6-8-13(9-7-12)17(22)23-2/h6-9,11H,3-5,10H2,1-2H3