methyl 2-[4-[2-[(4-cyanophenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[(4-cyanophenyl)carbonylamino]ethyl]-2-iodanyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]-2-iodo-phenoxy]acetate CAS Name: 2-[4-[2-[[(4-cyanophenyl)-oxomethyl]amino]ethyl]-2-iodophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]-2-iodophenoxy]acetate Traditional Name: 2-[4-[2-[(4-cyanobenzoyl)amino]ethyl]-2-iodo-phenoxy]acetic acid methyl ester Formula: C19H17IN2O4 MolecularWeight: 464.25375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C#N)I

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C#N)I

InChI

InChI=1S/C19H17IN2O4/c1-25-18(23)12-26-17-7-4-13(10-16(17)20)8-9-22-19(24)15-5-2-14(11-21)3-6-15/h2-7,10H,8-9,12H2,1H3,(H,22,24)