2-[[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepiperidin-1-yl)phenyl]methyl]butanoic acid

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepiperidin-1-yl)phenyl]methyl]butanoic acid Openeye Name: 2-[[2,4,6-triiodo-3-(2-oxo-1-piperidyl)phenyl]methyl]butanoic acid CAS Name: 2-[[2,4,6-triiodo-3-(2-oxo-1-piperidinyl)phenyl]methyl]butanoic acid IUPAC Name: 2-[[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]methyl]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(2-ketopiperidino)benzyl]butyric acid Formula: C16H18I3NO3 MolecularWeight: 653.03243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1I)I)N2CCCCC2=O)I)C(=O)O

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1I)I)N2CCCCC2=O)I)C(=O)O

InChI

InChI=1S/C16H18I3NO3/c1-2-9(16(22)23)7-10-11(17)8-12(18)15(14(10)19)20-6-4-3-5-13(20)21/h8-9H,2-7H2,1H3,(H,22,23)