1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[3-[3-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN(C)CC(COC2=CC=CC(=C2)C(=O)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN(C)CC(COC2=CC=CC(=C2)C(=O)C)O)C

InChI

InChI=1S/C22H29NO4/c1-16-10-17(2)12-22(11-16)26-9-8-23(4)14-20(25)15-27-21-7-5-6-19(13-21)18(3)24/h5-7,10-13,20,25H,8-9,14-15H2,1-4H3