(2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(3-pyridyloxy)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[2-methoxy-4-[[2-(3-pyridinyloxy)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[(2-pyridin-3-yloxyethylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(3-pyridyloxy)ethylamino]methyl]phenoxy]propan-2-ol Formula: C24H35N3O4 MolecularWeight: 429.5524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCOC2=CN=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCOC2=CN=CC=C2)OC[C@H](CN3CCCCCC3)O

InChI

InChI=1S/C24H35N3O4/c1-29-24-15-20(16-26-11-14-30-22-7-6-10-25-17-22)8-9-23(24)31-19-21(28)18-27-12-4-2-3-5-13-27/h6-10,15,17,21,26,28H,2-5,11-14,16,18-19H2,1H3/t21-/m0/s1