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

Systemtic Name: 1-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[3-[homoveratryl(methyl)amino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(CN(C)CCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(CN(C)CCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C22H29NO5/c1-16(24)18-6-5-7-20(13-18)28-15-19(25)14-23(2)11-10-17-8-9-21(26-3)22(12-17)27-4/h5-9,12-13,19,25H,10-11,14-15H2,1-4H3