methyl 1-[2-oxidanyl-3-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanyl-3-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[3-[(4-hydroxy-1-piperidyl)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[3-[(4-hydroxy-1-piperidinyl)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[3-[(4-hydroxypiperidino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCC(CC3)O)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCC(CC3)O)O

InChI

InChI=1S/C22H34N2O5/c1-28-22(27)18-5-9-24(10-6-18)15-20(26)16-29-21-4-2-3-17(13-21)14-23-11-7-19(25)8-12-23/h2-4,13,18-20,25-26H,5-12,14-16H2,1H3