1-[4-[3-(5-azanyl-2-iodanyl-4-methyl-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[3-(5-azanyl-2-iodanyl-4-methyl-phenoxy)propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(5-amino-2-iodo-4-methyl-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(5-amino-2-iodo-4-methylphenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(5-amino-2-iodo-4-methylphenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(5-amino-2-iodo-4-methyl-phenoxy)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H26INO4 MolecularWeight: 483.33991

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C(=C2)N)C)I

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C(=C2)N)C)I

InChI

InChI=1S/C21H26INO4/c1-4-6-16-19(8-7-15(14(3)24)21(16)25)26-9-5-10-27-20-12-18(23)13(2)11-17(20)22/h7-8,11-12,25H,4-6,9-10,23H2,1-3H3