(2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azocanyl)-3-[2-methoxy-5-[(4-oxanylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(oxan-4-ylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propan-2-ol Formula: C23H38N2O4 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCOCC2)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCOCC2)OC[C@H](CN3CCCCCCC3)O

InChI

InChI=1S/C23H38N2O4/c1-27-22-8-7-19(16-24-20-9-13-28-14-10-20)15-23(22)29-18-21(26)17-25-11-5-3-2-4-6-12-25/h7-8,15,20-21,24,26H,2-6,9-14,16-18H2,1H3/t21-/m0/s1