1-(1-benzofuran-4-yloxy)-3-[4-(3-ethyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol hydrate

Systemtic Name: 1-(1-benzofuran-4-yloxy)-3-[4-(3-ethyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol hydrate Openeye Name: 1-(benzofuran-4-yloxy)-3-[4-(3-ethylbenzothiophen-2-yl)-1-piperidyl]propan-2-ol hydrate CAS Name: 1-(4-benzofuranyloxy)-3-[4-(3-ethyl-1-benzothiophen-2-yl)-1-piperidinyl]-2-propanol hydrate IUPAC Name: 1-(1-benzofuran-4-yloxy)-3-[4-(3-ethyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol hydrate Traditional Name: 1-(benzofuran-4-yloxy)-3-[4-(3-ethylbenzothiophen-2-yl)piperidino]propan-2-ol hydrate Formula: C26H31NO4S MolecularWeight: 453.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC=C21)C3CCN(CC3)CC(COC4=CC=CC5=C4C=CO5)O.O

Isomeric SMILES

CCC1=C(SC2=CC=CC=C21)C3CCN(CC3)CC(COC4=CC=CC5=C4C=CO5)O.O

InChI

InChI=1S/C26H29NO3S.H2O/c1-2-20-21-6-3-4-9-25(21)31-26(20)18-10-13-27(14-11-18)16-19(28)17-30-24-8-5-7-23-22(24)12-15-29-23;/h3-9,12,15,18-19,28H,2,10-11,13-14,16-17H2,1H3;1H2