2-[[3-[[3-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]methyl]butanoic acid

Systemtic Name: 2-[[3-[[3-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]methyl]butanoic acid Openeye Name: 2-[[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]phenyl]methyl]butanoic acid CAS Name: 2-[[3-[[[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]phenyl]methyl]butanoic acid IUPAC Name: 2-[[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid Traditional Name: 2-[3-[[3-[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]benzyl]butyric acid Formula: C22H23I3N2O4 MolecularWeight: 760.14243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N(CC)C(=O)C)I)C(=O)O

Isomeric SMILES

CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N(CC)C(=O)C)I)C(=O)O

InChI

InChI=1S/C22H23I3N2O4/c1-4-14(22(30)31)9-13-7-6-8-15(10-13)26-21(29)18-16(23)11-17(24)20(19(18)25)27(5-2)12(3)28/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,26,29)(H,30,31)