[(2R)-1-imidazol-1-yl-3-(4-iodanylphenoxy)propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2R)-1-imidazol-1-yl-3-(4-iodanylphenoxy)propan-2-yl] 4-methoxybenzoate Openeye Name: [(1R)-1-(imidazol-1-ylmethyl)-2-(4-iodophenoxy)ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R)-1-(1-imidazolyl)-3-(4-iodophenoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-imidazol-1-yl-3-(4-iodophenoxy)propan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R)-1-(imidazol-1-ylmethyl)-2-(4-iodophenoxy)ethyl] ester Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC(CN2C=CN=C2)COC3=CC=C(C=C3)I

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@H](CN2C=CN=C2)COC3=CC=C(C=C3)I

InChI

InChI=1S/C20H19IN2O4/c1-25-17-6-2-15(3-7-17)20(24)27-19(12-23-11-10-22-14-23)13-26-18-8-4-16(21)5-9-18/h2-11,14,19H,12-13H2,1H3/t19-/m1/s1