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

Systemtic Name: [1-(4-cyanophenoxy)-3-imidazol-1-yl-propan-2-yl] 4-iodanylbenzoate Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-imidazol-1-yl-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-(4-cyanophenoxy)-3-(1-imidazolyl)propan-2-yl] ester IUPAC Name: [1-(4-cyanophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-[(4-cyanophenoxy)methyl]-2-imidazol-1-yl-ethyl] ester Formula: C20H16IN3O3 MolecularWeight: 473.26381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN2C=CN=C2)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(CN2C=CN=C2)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H16IN3O3/c21-17-5-3-16(4-6-17)20(25)27-19(12-24-10-9-23-14-24)13-26-18-7-1-15(11-22)2-8-18/h1-10,14,19H,12-13H2