1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azocan-1-yl)-3-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azocanyl)-3-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-2-propanol IUPAC Name: 1-(azocan-1-yl)-3-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azocan-1-yl)-3-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OCC(CN3CCCCCCC3)O

InChI

InChI=1S/C25H37N3O3/c1-30-25-17-22(18-27-14-11-21-9-12-26-13-10-21)7-8-24(25)31-20-23(29)19-28-15-5-3-2-4-6-16-28/h7-10,12-13,17,23,27,29H,2-6,11,14-16,18-20H2,1H3