1-(1-benzofuran-7-yloxy)-3-[4-(6-fluoranylnaphthalen-2-yl)piperidin-1-yl]propan-2-ol hydrate

Systemtic Name: 1-(1-benzofuran-7-yloxy)-3-[4-(6-fluoranylnaphthalen-2-yl)piperidin-1-yl]propan-2-ol hydrate Openeye Name: 1-(benzofuran-7-yloxy)-3-[4-(6-fluoro-2-naphthyl)-1-piperidyl]propan-2-ol hydrate CAS Name: 1-(7-benzofuranyloxy)-3-[4-(6-fluoro-2-naphthalenyl)-1-piperidinyl]-2-propanol hydrate IUPAC Name: 1-(1-benzofuran-7-yloxy)-3-[4-(6-fluoronaphthalen-2-yl)piperidin-1-yl]propan-2-ol hydrate Traditional Name: 1-(benzofuran-7-yloxy)-3-[4-(6-fluoro-2-naphthyl)piperidino]propan-2-ol hydrate Formula: C26H28FNO4 MolecularWeight: 437.503223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=C(C=C2)C=C(C=C3)F)CC(COC4=CC=CC5=C4OC=C5)O.O

Isomeric SMILES

C1CN(CCC1C2=CC3=C(C=C2)C=C(C=C3)F)CC(COC4=CC=CC5=C4OC=C5)O.O

InChI

InChI=1S/C26H26FNO3.H2O/c27-23-7-6-21-14-20(4-5-22(21)15-23)18-8-11-28(12-9-18)16-24(29)17-31-25-3-1-2-19-10-13-30-26(19)25;/h1-7,10,13-15,18,24,29H,8-9,11-12,16-17H2;1H2