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

Systemtic Name: methyl 1-[2-oxidanyl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H36N2O4/c1-31-26(30)23-12-15-28(16-13-23)19-24(29)20-32-25-11-5-9-22(17-25)18-27-14-6-10-21-7-3-2-4-8-21/h2-5,7-9,11,17,23-24,27,29H,6,10,12-16,18-20H2,1H3