3-(1H-imidazol-5-yl)propyl 2-iodanylbenzoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 2-iodanylbenzoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 2-iodobenzoate CAS Name: 2-iodobenzoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 2-iodobenzoate Traditional Name: 2-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=C(C(=C1)C(=O)OCCCC2=CN=CN2)I

Isomeric SMILES

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

InChI

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