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

Systemtic Name: methyl 1-[3-[4-[(oxan-4-ylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[(4-oxanylamino)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(oxan-4-ylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(tetrahydropyran-4-ylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNC3CCOCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNC3CCOCC3)O

InChI

InChI=1S/C22H34N2O5/c1-27-22(26)18-6-10-24(11-7-18)15-20(25)16-29-21-4-2-17(3-5-21)14-23-19-8-12-28-13-9-19/h2-5,18-20,23,25H,6-16H2,1H3