2-[[2-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]propane-1,3-diol

Systemtic Name: 2-[[2-[(2R)-3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]propane-1,3-diol Openeye Name: 2-[[2-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]propane-1,3-diol CAS Name: 2-[[2-[(2R)-3-(1-azocanyl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]propane-1,3-diol IUPAC Name: 2-[[2-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]propane-1,3-diol Traditional Name: 2-[[2-[(2R)-3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]amino]propane-1,3-diol Formula: C21H36N2O5 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(CO)CO)OCC(CN2CCCCCCC2)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(CO)CO)OC[C@@H](CN2CCCCCCC2)O

InChI

InChI=1S/C21H36N2O5/c1-27-20-8-7-17(12-22-18(14-24)15-25)21(11-20)28-16-19(26)13-23-9-5-3-2-4-6-10-23/h7-8,11,18-19,22,24-26H,2-6,9-10,12-16H2,1H3/t19-/m1/s1