3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-iodanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-iodanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-ethoxy-2-oxo-ethoxy)-3-iodo-phenyl]propanoic acid CAS Name: 3-[4-(2-ethoxy-2-oxoethoxy)-3-iodophenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-ethoxy-2-oxoethoxy)-3-iodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(2-ethoxy-2-keto-ethoxy)-3-iodo-phenyl]propionic acid Formula: C18H24INO7 MolecularWeight: 493.29013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)I

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)I

InChI

InChI=1S/C18H24INO7/c1-5-25-15(21)10-26-14-7-6-11(8-12(14)19)9-13(16(22)23)20-17(24)27-18(2,3)4/h6-8,13H,5,9-10H2,1-4H3,(H,20,24)(H,22,23)