3-(1H-imidazol-5-yl)propyl 3-iodanyl-4-methyl-benzoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 3-iodanyl-4-methyl-benzoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid 3-(1H-imidazol-5-yl)propyl ester Formula: C14H15IN2O2 MolecularWeight: 370.18557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCC2=CN=CN2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCC2=CN=CN2)I

InChI

InChI=1S/C14H15IN2O2/c1-10-4-5-11(7-13(10)15)14(18)19-6-2-3-12-8-16-9-17-12/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)