1-[4-[3-[(4-bromanyl-2-methyl-phenyl)amino]oxy-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[3-[(4-bromanyl-2-methyl-phenyl)amino]oxy-2-oxidanyl-propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-(4-bromo-2-methyl-anilino)oxy-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-(4-bromo-2-methylanilino)oxy-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-(4-bromo-2-methylanilino)oxy-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-(4-bromo-2-methyl-anilino)oxy-2-hydroxy-propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H26BrNO5 MolecularWeight: 452.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CONC2=C(C=C(C=C2)Br)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CONC2=C(C=C(C=C2)Br)C)O

InChI

InChI=1S/C21H26BrNO5/c1-4-5-18-20(9-7-17(14(3)24)21(18)26)27-11-16(25)12-28-23-19-8-6-15(22)10-13(19)2/h6-10,16,23,25-26H,4-5,11-12H2,1-3H3