3-(1H-imidazol-5-yl)propyl 4-iodanylbenzoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 4-iodanylbenzoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 4-iodobenzoate Traditional Name: 4-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=C1C(=O)OCCCC2=CN=CN2)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC2=CN=CN2)I

InChI

InChI=1S/C13H13IN2O2/c14-11-5-3-10(4-6-11)13(17)18-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)