4-[3-[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]-2-oxidanyl-propoxy]benzene-1,2-diol

Systemtic Name: 4-[3-[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]-2-oxidanyl-propoxy]benzene-1,2-diol Openeye Name: 4-[2-hydroxy-3-[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidyl]propoxy]benzene-1,2-diol CAS Name: 4-[2-hydroxy-3-[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidinyl]propoxy]benzene-1,2-diol IUPAC Name: 4-[2-hydroxy-3-[6-[2-(4-hydroxyphenyl)ethyl]piperidin-2-yl]propoxy]benzene-1,2-diol Traditional Name: 4-[2-hydroxy-3-[6-[2-(4-hydroxyphenyl)ethyl]-2-piperidyl]propoxy]pyrocatechol Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(C1)CC(COC2=CC(=C(C=C2)O)O)O)CCC3=CC=C(C=C3)O

Isomeric SMILES

C1CC(NC(C1)CC(COC2=CC(=C(C=C2)O)O)O)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C22H29NO5/c24-18-8-5-15(6-9-18)4-7-16-2-1-3-17(23-16)12-19(25)14-28-20-10-11-21(26)22(27)13-20/h5-6,8-11,13,16-17,19,23-27H,1-4,7,12,14H2