1-[2-bromanyl-4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenoxy]butan-2-one

Systemtic Name: 1-[2-bromanyl-4-[2-[[1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]ethyl]phenoxy]butan-2-one Openeye Name: 1-[2-bromo-4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]phenoxy]butan-2-one CAS Name: 1-[2-bromo-4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]-2-butanone IUPAC Name: 1-[2-bromo-4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]butan-2-one Traditional Name: 1-[2-bromo-4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]phenoxy]butan-2-one Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)COC1=C(C=C(C=C1)CCNC(C)C(C2=CC=C(C=C2)O)O)Br

Isomeric SMILES

CCC(=O)COC1=C(C=C(C=C1)CCNC(C)C(C2=CC=C(C=C2)O)O)Br

InChI

InChI=1S/C21H26BrNO4/c1-3-17(24)13-27-20-9-4-15(12-19(20)22)10-11-23-14(2)21(26)16-5-7-18(25)8-6-16/h4-9,12,14,21,23,25-26H,3,10-11,13H2,1-2H3