4-[3-[3-(hydroxymethyl)piperidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(hydroxymethyl)piperidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[3-(hydroxymethyl)-1-piperidyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[3-(hydroxymethyl)-1-piperidinyl]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-(3-methylolpiperidino)propoxy]benzonitrile Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(COC2=CC=C(C=C2)C#N)O)CO

Isomeric SMILES

C1CC(CN(C1)CC(COC2=CC=C(C=C2)C#N)O)CO

InChI

InChI=1S/C16H22N2O3/c17-8-13-3-5-16(6-4-13)21-12-15(20)10-18-7-1-2-14(9-18)11-19/h3-6,14-15,19-20H,1-2,7,9-12H2