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

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[4-[(2-imidazol-1-ylethylamino)methyl]-2-methoxy-phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[4-[(2-imidazol-1-ylethylamino)methyl]-2-methoxy-phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[4-[[2-(1-imidazolyl)ethylamino]methyl]-2-methoxyphenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[4-[(2-imidazol-1-ylethylamino)methyl]-2-methoxyphenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[4-[(2-imidazol-1-ylethylamino)methyl]-2-methoxy-phenoxy]propan-2-ol Formula: C22H34N4O3 MolecularWeight: 402.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCN2C=CN=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCN2C=CN=C2)OC[C@H](CN3CCCCCC3)O

InChI

InChI=1S/C22H34N4O3/c1-28-22-14-19(15-23-8-12-26-13-9-24-18-26)6-7-21(22)29-17-20(27)16-25-10-4-2-3-5-11-25/h6-7,9,13-14,18,20,23,27H,2-5,8,10-12,15-17H2,1H3/t20-/m0/s1