(2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azepanyl)-3-[2-methoxy-4-[(4-oxanylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propan-2-ol Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2CCOCC2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2CCOCC2)OC[C@@H](CN3CCCCCC3)O

InChI

InChI=1S/C22H36N2O4/c1-26-22-14-18(15-23-19-8-12-27-13-9-19)6-7-21(22)28-17-20(25)16-24-10-4-2-3-5-11-24/h6-7,14,19-20,23,25H,2-5,8-13,15-17H2,1H3/t20-/m1/s1