1-[4-[(2R)-3-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2R)-3-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2R)-3-[(2-bromophenyl)methyl-methyl-amino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-3-[(2-bromophenyl)methyl-methylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-3-[(2-bromophenyl)methyl-methylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-3-[(2-bromobenzyl)-methyl-amino]-2-hydroxy-propoxy]-3-methoxy-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)CC2=CC=CC=C2Br)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](CN(C)CC2=CC=CC=C2Br)O)OC

InChI

InChI=1S/C20H24BrNO4/c1-14(23)15-8-9-19(20(10-15)25-3)26-13-17(24)12-22(2)11-16-6-4-5-7-18(16)21/h4-10,17,24H,11-13H2,1-3H3/t17-/m1/s1