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

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(pentanoylamino)phenyl]methyl]butanoic acid Openeye Name: 2-[[2,4,6-triiodo-3-(pentanoylamino)phenyl]methyl]butanoic acid CAS Name: 2-[[2,4,6-triiodo-3-(1-oxopentylamino)phenyl]methyl]butanoic acid IUPAC Name: 2-[[2,4,6-triiodo-3-(pentanoylamino)phenyl]methyl]butanoic acid Traditional Name: 2-[2,4,6-triiodo-3-(valerylamino)benzyl]butyric acid Formula: C16H20I3NO3 MolecularWeight: 655.04831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I

InChI

InChI=1S/C16H20I3NO3/c1-3-5-6-13(21)20-15-12(18)8-11(17)10(14(15)19)7-9(4-2)16(22)23/h8-9H,3-7H2,1-2H3,(H,20,21)(H,22,23)