5-(5-cyano-2-iodanyl-phenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 5-(5-cyano-2-iodanyl-phenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-5-(5-cyano-2-iodo-phenoxy)pentanoic acid CAS Name: 5-(5-cyano-2-iodophenoxy)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(5-cyano-2-iodophenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-5-(5-cyano-2-iodo-phenoxy)valeric acid Formula: C17H21IN2O5 MolecularWeight: 460.26351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)COC1=C(C=CC(=C1)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)O)COC1=C(C=CC(=C1)C#N)I

InChI

InChI=1S/C17H21IN2O5/c1-17(2,3)25-16(23)20-12(5-7-15(21)22)10-24-14-8-11(9-19)4-6-13(14)18/h4,6,8,12H,5,7,10H2,1-3H3,(H,20,23)(H,21,22)