3-(1H-imidazol-5-yl)propyl 3-iodanylbenzoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 3-iodanylbenzoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)OCCCC2=CN=CN2

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)OCCCC2=CN=CN2

InChI

InChI=1S/C13H13IN2O2/c14-11-4-1-3-10(7-11)13(17)18-6-2-5-12-8-15-9-16-12/h1,3-4,7-9H,2,5-6H2,(H,15,16)