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

Systemtic Name: 2-[[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenyl]methyl]butanoic acid Openeye Name: 2-[[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenyl]methyl]butanoic acid CAS Name: 2-[[3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]amino]phenyl]methyl]butanoic acid IUPAC Name: 2-[[3-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]methyl]butanoic acid Traditional Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]benzyl]butyric acid Formula: C18H17I3N2O3 MolecularWeight: 690.05259

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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)I)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17I3N2O3/c1-2-10(18(25)26)6-9-4-3-5-11(7-9)23-17(24)14-12(19)8-13(20)16(22)15(14)21/h3-5,7-8,10H,2,6,22H2,1H3,(H,23,24)(H,25,26)