ethyl 3-(5-chloranyl-3-iodanyl-2-oxidanyl-phenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]propanoate

Systemtic Name: ethyl 3-(5-chloranyl-3-iodanyl-2-oxidanyl-phenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(5-chloro-2-hydroxy-3-iodo-phenyl)propanoate CAS Name: 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-chloro-2-hydroxy-3-iodophenyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-(5-chloro-2-hydroxy-3-iodo-phenyl)propionic acid ethyl ester Formula: C18H24ClIN2O6 MolecularWeight: 526.75043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1O)I)Cl)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1O)I)Cl)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C18H24ClIN2O6/c1-5-27-15(24)8-13(11-6-10(19)7-12(20)16(11)25)22-14(23)9-21-17(26)28-18(2,3)4/h6-7,13,25H,5,8-9H2,1-4H3,(H,21,26)(H,22,23)