(phenylmethyl) 2-[2-(5-cyano-2-iodanyl-phenoxy)ethylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(5-cyano-2-iodanyl-phenoxy)ethylamino]ethanoate Openeye Name: benzyl 2-[2-(5-cyano-2-iodo-phenoxy)ethylamino]acetate CAS Name: 2-[2-(5-cyano-2-iodophenoxy)ethylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(5-cyano-2-iodophenoxy)ethylamino]acetate Traditional Name: 2-[2-(5-cyano-2-iodo-phenoxy)ethylamino]acetic acid benzyl ester Formula: C18H17IN2O3 MolecularWeight: 436.24365

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNCCOC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNCCOC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C18H17IN2O3/c19-16-7-6-15(11-20)10-17(16)23-9-8-21-12-18(22)24-13-14-4-2-1-3-5-14/h1-7,10,21H,8-9,12-13H2