(2R)-1-(azocan-1-yl)-3-[2-[(2-imidazol-1-ylethylamino)methyl]-5-methoxy-phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-yl)-3-[2-[(2-imidazol-1-ylethylamino)methyl]-5-methoxy-phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-yl)-3-[2-[(2-imidazol-1-ylethylamino)methyl]-5-methoxy-phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocanyl)-3-[2-[[2-(1-imidazolyl)ethylamino]methyl]-5-methoxyphenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-yl)-3-[2-[(2-imidazol-1-ylethylamino)methyl]-5-methoxyphenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-yl)-3-[2-[(2-imidazol-1-ylethylamino)methyl]-5-methoxy-phenoxy]propan-2-ol Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCN2C=CN=C2)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNCCN2C=CN=C2)OC[C@@H](CN3CCCCCCC3)O

InChI

InChI=1S/C23H36N4O3/c1-29-22-8-7-20(16-24-9-13-27-14-10-25-19-27)23(15-22)30-18-21(28)17-26-11-5-3-2-4-6-12-26/h7-8,10,14-15,19,21,24,28H,2-6,9,11-13,16-18H2,1H3/t21-/m1/s1