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

Systemtic Name: 4-(5-cyano-2-iodanyl-phenoxy)-3-[(4-cyanophenyl)carbonylamino]butanoic acid Openeye Name: 3-[(4-cyanobenzoyl)amino]-4-(5-cyano-2-iodo-phenoxy)butanoic acid CAS Name: 4-(5-cyano-2-iodophenoxy)-3-[[(4-cyanophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)amino]-4-(5-cyano-2-iodophenoxy)butanoic acid Traditional Name: 3-[(4-cyanobenzoyl)amino]-4-(5-cyano-2-iodo-phenoxy)butyric acid Formula: C19H14IN3O4 MolecularWeight: 475.23663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC(CC(=O)O)COC2=C(C=CC(=C2)C#N)I

InChI

InChI=1S/C19H14IN3O4/c20-16-6-3-13(10-22)7-17(16)27-11-15(8-18(24)25)23-19(26)14-4-1-12(9-21)2-5-14/h1-7,15H,8,11H2,(H,23,26)(H,24,25)