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

Systemtic Name: 2-phenyl-3-[2,4,6-tris(iodanyl)-3-(2-oxidanylidenepiperidin-1-yl)phenyl]propanoic acid Openeye Name: 2-phenyl-3-[2,4,6-triiodo-3-(2-oxo-1-piperidyl)phenyl]propanoic acid CAS Name: 2-phenyl-3-[2,4,6-triiodo-3-(2-oxo-1-piperidinyl)phenyl]propanoic acid IUPAC Name: 2-phenyl-3-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoic acid Traditional Name: 2-phenyl-3-[2,4,6-triiodo-3-(2-ketopiperidino)phenyl]propionic acid Formula: C20H18I3NO3 MolecularWeight: 701.07523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=C(C=C(C(=C2I)CC(C3=CC=CC=C3)C(=O)O)I)I

Isomeric SMILES

C1CCN(C(=O)C1)C2=C(C=C(C(=C2I)CC(C3=CC=CC=C3)C(=O)O)I)I

InChI

InChI=1S/C20H18I3NO3/c21-15-11-16(22)19(24-9-5-4-8-17(24)25)18(23)14(15)10-13(20(26)27)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,26,27)