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

Systemtic Name: methyl 1-[(2S)-2-oxidanyl-3-[3-[(3-oxidanylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(3-hydroxypropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-[(3-hydroxypropylamino)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(3-hydroxypropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(3-hydroxypropylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCCO)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCCO)O

InChI

InChI=1S/C20H32N2O5/c1-26-20(25)17-6-9-22(10-7-17)14-18(24)15-27-19-5-2-4-16(12-19)13-21-8-3-11-23/h2,4-5,12,17-18,21,23-24H,3,6-11,13-15H2,1H3/t18-/m0/s1