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

Systemtic Name: 1-[3-[(2S)-3-[(2,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[(2S)-3-[(2,4-dimethoxyphenyl)methyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[(2S)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-3-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[(2S)-3-[(2,4-dimethoxybenzyl)-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN(C)CC2=C(C=C(C=C2)OC)OC)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC[C@H](CN(C)CC2=C(C=C(C=C2)OC)OC)O

InChI

InChI=1S/C21H27NO5/c1-15(23)16-6-5-7-20(10-16)27-14-18(24)13-22(2)12-17-8-9-19(25-3)11-21(17)26-4/h5-11,18,24H,12-14H2,1-4H3/t18-/m0/s1