dimethyl 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylate Openeye Name: dimethyl 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylate CAS Name: 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-butyl-1-[(4-iodophenyl)methyl]imidazole-4,5-dicarboxylate Traditional Name: 2-butyl-1-(4-iodobenzyl)imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H21IN2O4 MolecularWeight: 456.27481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN2O4/c1-4-5-6-14-20-15(17(22)24-2)16(18(23)25-3)21(14)11-12-7-9-13(19)10-8-12/h7-10H,4-6,11H2,1-3H3