4-(5-cyano-2-iodanyl-phenoxy)-3-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(5-cyano-2-iodanyl-phenoxy)-3-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(5-cyano-2-iodo-phenoxy)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid CAS Name: 4-(5-cyano-2-iodophenoxy)-3-[[[4-[dimethylamino(oxo)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(5-cyano-2-iodophenoxy)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(5-cyano-2-iodo-phenoxy)-3-[[4-(dimethylcarbamoyl)benzoyl]amino]butyric acid Formula: C21H20IN3O5 MolecularWeight: 521.30507

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C21H20IN3O5/c1-25(2)21(29)15-6-4-14(5-7-15)20(28)24-16(10-19(26)27)12-30-18-9-13(11-23)3-8-17(18)22/h3-9,16H,10,12H2,1-2H3,(H,24,28)(H,26,27)