4-(5-cyano-2-iodanyl-phenoxy)-4-[(3-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-(5-cyano-2-iodanyl-phenoxy)-4-[(3-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-(5-cyano-2-iodo-phenoxy)-4-[[3-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid CAS Name: 4-(5-cyano-2-iodophenoxy)-4-[[oxo-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-(5-cyano-2-iodophenoxy)-4-[[3-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoic acid Traditional Name: 4-(5-cyano-2-iodo-phenoxy)-4-[[3-(pyrrolidine-1-carbonyl)benzoyl]amino]butyric acid Formula: C23H22IN3O5 MolecularWeight: 547.34235

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)C(=O)NC(CCC(=O)O)OC3=C(C=CC(=C3)C#N)I

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)C(=O)NC(CCC(=O)O)OC3=C(C=CC(=C3)C#N)I

InChI

InChI=1S/C23H22IN3O5/c24-18-7-6-15(14-25)12-19(18)32-20(8-9-21(28)29)26-22(30)16-4-3-5-17(13-16)23(31)27-10-1-2-11-27/h3-7,12-13,20H,1-2,8-11H2,(H,26,30)(H,28,29)