methyl 3-(imidazol-1-ylmethyl)-5-iodanyl-benzoate

Systemtic Name: methyl 3-(imidazol-1-ylmethyl)-5-iodanyl-benzoate Openeye Name: methyl 3-(imidazol-1-ylmethyl)-5-iodo-benzoate CAS Name: 3-(1-imidazolylmethyl)-5-iodobenzoic acid methyl ester IUPAC Name: methyl 3-(imidazol-1-ylmethyl)-5-iodobenzoate Traditional Name: 3-(imidazol-1-ylmethyl)-5-iodo-benzoic acid methyl ester Formula: C12H11IN2O2 MolecularWeight: 342.13241

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)I)CN2C=CN=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)I)CN2C=CN=C2

InChI

InChI=1S/C12H11IN2O2/c1-17-12(16)10-4-9(5-11(13)6-10)7-15-3-2-14-8-15/h2-6,8H,7H2,1H3