1-[2-(hydroxymethyl)-4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]propan-1-one

Systemtic Name: 1-[2-(hydroxymethyl)-4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]propan-1-one Openeye Name: 1-[2-(hydroxymethyl)-4-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]propan-1-one CAS Name: 1-[2-(hydroxymethyl)-4-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-1-propanone IUPAC Name: 1-[2-(hydroxymethyl)-4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]propan-1-one Traditional Name: 1-[4-(2-hydroxy-3-piperidino-propoxy)-2-methylol-phenyl]propan-1-one Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1)OCC(CN2CCCCC2)O)CO

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1)OCC(CN2CCCCC2)O)CO

InChI

InChI=1S/C18H27NO4/c1-2-18(22)17-7-6-16(10-14(17)12-20)23-13-15(21)11-19-8-4-3-5-9-19/h6-7,10,15,20-21H,2-5,8-9,11-13H2,1H3