4-[3-[1,4-dimethoxy-3-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-3-oxidanyl-propyl]phenol hydrate

Systemtic Name: 4-[3-[1,4-dimethoxy-3-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-3-oxidanyl-propyl]phenol hydrate Openeye Name: 4-[3-[1,4-dimethoxy-3-[2-(1-piperidyl)ethoxy]-2-naphthyl]-3-hydroxy-propyl]phenol hydrate CAS Name: 4-[3-[1,4-dimethoxy-3-[2-(1-piperidinyl)ethoxy]-2-naphthalenyl]-3-hydroxypropyl]phenol hydrate IUPAC Name: 4-[3-[1,4-dimethoxy-3-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-3-hydroxypropyl]phenol hydrate Traditional Name: 4-[3-[1,4-dimethoxy-3-(2-piperidinoethoxy)-2-naphthyl]-3-hydroxy-propyl]phenol hydrate Formula: C28H37NO6 MolecularWeight: 483.59648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=CC=CC=C21)OC)OCCN3CCCCC3)C(CCC4=CC=C(C=C4)O)O.O

Isomeric SMILES

COC1=C(C(=C(C2=CC=CC=C21)OC)OCCN3CCCCC3)C(CCC4=CC=C(C=C4)O)O.O

InChI

InChI=1S/C28H35NO5.H2O/c1-32-26-22-8-4-5-9-23(22)27(33-2)28(34-19-18-29-16-6-3-7-17-29)25(26)24(31)15-12-20-10-13-21(30)14-11-20;/h4-5,8-11,13-14,24,30-31H,3,6-7,12,15-19H2,1-2H3;1H2