4-[4-[(2R)-3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[(2R)-3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[(2R)-3-[(2,3-dimethoxyphenyl)methyl-methyl-amino]-2-hydroxy-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[(2R)-3-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[(2R)-3-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-hydroxypropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[(2R)-2-hydroxy-3-[methyl(o-veratryl)amino]propoxy]phenyl]butan-2-one Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CN(C)CC2=C(C(=CC=C2)OC)OC)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@@H](CN(C)CC2=C(C(=CC=C2)OC)OC)O

InChI

InChI=1S/C23H31NO5/c1-17(25)8-9-18-10-12-21(13-11-18)29-16-20(26)15-24(2)14-19-6-5-7-22(27-3)23(19)28-4/h5-7,10-13,20,26H,8-9,14-16H2,1-4H3/t20-/m1/s1