methyl 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate Openeye Name: methyl 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate CAS Name: 3-[1-(4-iodophenyl)ethyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylate Traditional Name: 3-[1-(4-iodophenyl)ethyl]imidazole-4-carboxylic acid methyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)I)N2C=NC=C2C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)I)N2C=NC=C2C(=O)OC

InChI

InChI=1S/C13H13IN2O2/c1-9(10-3-5-11(14)6-4-10)16-8-15-7-12(16)13(17)18-2/h3-9H,1-2H3