ethyl 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoate

Systemtic Name: ethyl 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanoate Openeye Name: ethyl 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoate CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate Traditional Name: 2-(3-amino-2,4,6-triiodo-benzyl)butyric acid ethyl ester Formula: C13H16I3NO2 MolecularWeight: 598.98505

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OCC

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OCC

InChI

InChI=1S/C13H16I3NO2/c1-3-7(13(18)19-4-2)5-8-9(14)6-10(15)12(17)11(8)16/h6-7H,3-5,17H2,1-2H3