ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-[homoveratryl(methyl)amino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C23H31NO6 MolecularWeight: 417.49534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6/c1-5-29-23(26)18-7-6-8-20(14-18)30-16-19(25)15-24(2)12-11-17-9-10-21(27-3)22(13-17)28-4/h6-10,13-14,19,25H,5,11-12,15-16H2,1-4H3