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

Systemtic Name: methyl 1-[2-oxidanyl-3-[3-[(3-oxidanylidenepiperazin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[3-[(3-oxopiperazin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[3-[(3-oxo-1-piperazinyl)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[3-[(3-oxopiperazin-1-yl)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[3-[(3-ketopiperazino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCNC(=O)C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCNC(=O)C3)O

InChI

InChI=1S/C21H31N3O5/c1-28-21(27)17-5-8-23(9-6-17)13-18(25)15-29-19-4-2-3-16(11-19)12-24-10-7-22-20(26)14-24/h2-4,11,17-18,25H,5-10,12-15H2,1H3,(H,22,26)