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

Systemtic Name: [1-(4-cyanophenoxy)-3-(2-methylimidazol-1-yl)propan-2-yl] 4-iodanylbenzoate Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-(2-methylimidazol-1-yl)ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-(4-cyanophenoxy)-3-(2-methyl-1-imidazolyl)propan-2-yl] ester IUPAC Name: [1-(4-cyanophenoxy)-3-(2-methylimidazol-1-yl)propan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-[(4-cyanophenoxy)methyl]-2-(2-methylimidazol-1-yl)ethyl] ester Formula: C21H18IN3O3 MolecularWeight: 487.29039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(COC2=CC=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=NC=CN1CC(COC2=CC=C(C=C2)C#N)OC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C21H18IN3O3/c1-15-24-10-11-25(15)13-20(14-27-19-8-2-16(12-23)3-9-19)28-21(26)17-4-6-18(22)7-5-17/h2-11,20H,13-14H2,1H3