4-(5-cyano-2-iodanyl-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: 4-(5-cyano-2-iodanyl-phenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: 3-(tert-butoxycarbonylamino)-4-(5-cyano-2-iodo-phenoxy)butanoate CAS Name: 4-(5-cyano-2-iodophenoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate IUPAC Name: 4-(5-cyano-2-iodophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 3-(tert-butoxycarbonylamino)-4-(5-cyano-2-iodo-phenoxy)butyrate Formula: C16H18IN2O5- MolecularWeight: 445.22899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)[O-])COC1=C(C=CC(=C1)C#N)I

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)[O-])COC1=C(C=CC(=C1)C#N)I

InChI

InChI=1S/C16H19IN2O5/c1-16(2,3)24-15(22)19-11(7-14(20)21)9-23-13-6-10(8-18)4-5-12(13)17/h4-6,11H,7,9H2,1-3H3,(H,19,22)(H,20,21)/p-1