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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCC3=CN=CC=C3)O

InChI

InChI=1S/C23H31N3O4/c1-29-23(28)20-7-10-26(11-8-20)16-21(27)17-30-22-6-2-4-18(12-22)13-25-15-19-5-3-9-24-14-19/h2-6,9,12,14,20-21,25,27H,7-8,10-11,13,15-17H2,1H3/t21-/m0/s1