ethyl 3-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenyl]propanoate iodide

Systemtic Name: ethyl 3-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenyl]propanoate iodide Openeye Name: ethyl 3-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]propanoate iodide CAS Name: 3-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenyl]propanoate iodide Traditional Name: 3-[4-[(3-acetyl-4-imidazolin-1-yl)methyl]phenyl]propionic acid ethyl ester iodide Formula: C17H22IN2O3- MolecularWeight: 429.27265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C.[I-]

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C.[I-]

InChI

InChI=1S/C17H22N2O3.HI/c1-3-22-17(21)9-8-15-4-6-16(7-5-15)12-18-10-11-19(13-18)14(2)20;/h4-7,10-11H,3,8-9,12-13H2,1-2H3;1H/p-1