2-[1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-3-yl]-1,1-diphenyl-ethanol hydrate

Systemtic Name: 2-[1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-3-yl]-1,1-diphenyl-ethanol hydrate Openeye Name: 2-[1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-piperidyl]-1,1-diphenyl-ethanol hydrate CAS Name: 2-[1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-piperidinyl]-1,1-diphenylethanol hydrate IUPAC Name: 2-[1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-3-yl]-1,1-diphenylethanol hydrate Traditional Name: 2-(1-homopiperonyl-3-piperidyl)-1,1-diphenyl-ethanol hydrate Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)(C5=CC=CC=C5)O.O

Isomeric SMILES

C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)(C5=CC=CC=C5)O.O

InChI

InChI=1S/C28H31NO3.H2O/c30-28(24-9-3-1-4-10-24,25-11-5-2-6-12-25)19-23-8-7-16-29(20-23)17-15-22-13-14-26-27(18-22)32-21-31-26;/h1-6,9-14,18,23,30H,7-8,15-17,19-21H2;1H2