2-[3-[2-iodanyl-4-(2-methylbutan-2-yl)phenoxy]propylcarbamoylamino]propanoic acid

Systemtic Name: 2-[3-[2-iodanyl-4-(2-methylbutan-2-yl)phenoxy]propylcarbamoylamino]propanoic acid Openeye Name: 2-[3-[4-(1,1-dimethylpropyl)-2-iodo-phenoxy]propylcarbamoylamino]propanoic acid CAS Name: 2-[[[3-[2-iodo-4-(2-methylbutan-2-yl)phenoxy]propylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[3-[2-iodo-4-(2-methylbutan-2-yl)phenoxy]propylcarbamoylamino]propanoic acid Traditional Name: 2-[3-(4-tert-amyl-2-iodo-phenoxy)propylcarbamoylamino]propionic acid Formula: C18H27IN2O4 MolecularWeight: 462.32245

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)NC(C)C(=O)O)I

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCNC(=O)NC(C)C(=O)O)I

InChI

InChI=1S/C18H27IN2O4/c1-5-18(3,4)13-7-8-15(14(19)11-13)25-10-6-9-20-17(24)21-12(2)16(22)23/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,22,23)(H2,20,21,24)