1-[4-[(2S)-3-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN(C)CCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](CN(C)CCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C20H24BrNO4/c1-15(23)16-3-7-20(8-4-16)26-14-18(24)13-22(2)11-12-25-19-9-5-17(21)6-10-19/h3-10,18,24H,11-14H2,1-2H3/t18-/m0/s1