methyl 1-[2-oxidanyl-3-[4-[(pyridin-3-ylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanyl-3-[4-[(pyridin-3-ylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(3-pyridylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[(3-pyridinylmethylamino)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(pyridin-3-ylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(3-pyridylmethylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCC3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCC3=CN=CC=C3)O

InChI

InChI=1S/C23H31N3O4/c1-29-23(28)20-8-11-26(12-9-20)16-21(27)17-30-22-6-4-18(5-7-22)13-25-15-19-3-2-10-24-14-19/h2-7,10,14,20-21,25,27H,8-9,11-13,15-17H2,1H3