2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-iodo-6-methoxy-phenoxy]acetic acid Formula: C26H28INO4 MolecularWeight: 545.40929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)I)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)I)OCC(=O)O

InChI

InChI=1S/C26H28INO4/c1-31-23-10-19(9-22(27)25(23)32-15-24(29)30)14-28-21-4-2-20(3-5-21)26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,14,16-18H,6-8,11-13,15H2,1H3,(H,29,30)