methyl 2-(7-iodanylnaphthalen-1-yl)-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate

Systemtic Name: methyl 2-(7-iodanylnaphthalen-1-yl)-3-[2,2,2-tris(fluoranyl)ethanoylamino]propanoate Openeye Name: methyl 2-(7-iodo-1-naphthyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate CAS Name: 2-(7-iodo-1-naphthalenyl)-3-[(2,2,2-trifluoro-1-oxoethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(7-iodonaphthalen-1-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanoate Traditional Name: 2-(7-iodo-1-naphthyl)-3-[(2,2,2-trifluoroacetyl)amino]propionic acid methyl ester Formula: C16H13F3INO3 MolecularWeight: 451.179

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C(F)(F)F)C1=CC=CC2=C1C=C(C=C2)I

Isomeric SMILES

COC(=O)C(CNC(=O)C(F)(F)F)C1=CC=CC2=C1C=C(C=C2)I

InChI

InChI=1S/C16H13F3INO3/c1-24-14(22)13(8-21-15(23)16(17,18)19)11-4-2-3-9-5-6-10(20)7-12(9)11/h2-7,13H,8H2,1H3,(H,21,23)