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

Systemtic Name: 2-[[3-(hexanoylamino)-2,4,6-tris(iodanyl)phenyl]methyl]butanoic acid Openeye Name: 2-[[3-(hexanoylamino)-2,4,6-triiodo-phenyl]methyl]butanoic acid CAS Name: 2-[[2,4,6-triiodo-3-(1-oxohexylamino)phenyl]methyl]butanoic acid IUPAC Name: 2-[[3-(hexanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid Traditional Name: 2-[3-(caproylamino)-2,4,6-triiodo-benzyl]butyric acid Formula: C17H22I3NO3 MolecularWeight: 669.07489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22I3NO3/c1-3-5-6-7-14(22)21-16-13(19)9-12(18)11(15(16)20)8-10(4-2)17(23)24/h9-10H,3-8H2,1-2H3,(H,21,22)(H,23,24)