2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid

Systemtic Name: 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid Openeye Name: 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid CAS Name: 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid Traditional Name: 2-butyl-1-(4-iodobenzyl)imidazole-4,5-dicarboxylic acid Formula: C16H17IN2O4 MolecularWeight: 428.22165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17IN2O4/c1-2-3-4-12-18-13(15(20)21)14(16(22)23)19(12)9-10-5-7-11(17)8-6-10/h5-8H,2-4,9H2,1H3,(H,20,21)(H,22,23)