2-[[2-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methylamino]propane-1,3-diol

Systemtic Name: 2-[[2-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-5-chloranyl-phenyl]methylamino]propane-1,3-diol Openeye Name: 2-[[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]-5-chloro-phenyl]methylamino]propane-1,3-diol CAS Name: 2-[[2-[3-(1-azepanyl)-2-hydroxypropoxy]-5-chlorophenyl]methylamino]propane-1,3-diol IUPAC Name: 2-[[2-[3-(azepan-1-yl)-2-hydroxypropoxy]-5-chlorophenyl]methylamino]propane-1,3-diol Traditional Name: 2-[[2-[3-(azepan-1-yl)-2-hydroxy-propoxy]-5-chloro-benzyl]amino]propane-1,3-diol Formula: C19H31ClN2O4 MolecularWeight: 386.91344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNC(CO)CO)O

Isomeric SMILES

C1CCCN(CC1)CC(COC2=C(C=C(C=C2)Cl)CNC(CO)CO)O

InChI

InChI=1S/C19H31ClN2O4/c20-16-5-6-19(15(9-16)10-21-17(12-23)13-24)26-14-18(25)11-22-7-3-1-2-4-8-22/h5-6,9,17-18,21,23-25H,1-4,7-8,10-14H2