1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[3-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[3-[[methyl(veratryl)amino]methyl]phenoxy]propan-2-ol Formula: C26H38N2O4 MolecularWeight: 442.59092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OCC(CN2CCCCCC2)O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC(=CC=C1)OCC(CN2CCCCCC2)O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H38N2O4/c1-27(18-22-11-12-25(30-2)26(16-22)31-3)17-21-9-8-10-24(15-21)32-20-23(29)19-28-13-6-4-5-7-14-28/h8-12,15-16,23,29H,4-7,13-14,17-20H2,1-3H3