[1-(4-acetamidophenoxy)-3-imidazol-1-yl-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [1-(4-acetamidophenoxy)-3-imidazol-1-yl-propan-2-yl] 4-iodanylbenzoate Openeye Name: [1-[(4-acetamidophenoxy)methyl]-2-imidazol-1-yl-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-(4-acetamidophenoxy)-3-(1-imidazolyl)propan-2-yl] ester IUPAC Name: [1-(4-acetamidophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-[(4-acetamidophenoxy)methyl]-2-imidazol-1-yl-ethyl] ester Formula: C21H20IN3O4 MolecularWeight: 505.30567

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN2C=CN=C2)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC(CN2C=CN=C2)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H20IN3O4/c1-15(26)24-18-6-8-19(9-7-18)28-13-20(12-25-11-10-23-14-25)29-21(27)16-2-4-17(22)5-3-16/h2-11,14,20H,12-13H2,1H3,(H,24,26)