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

Systemtic Name: methyl 1-[3-[4-[(2-methylsulfanylethylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(2-methylsulfanylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[[2-(methylthio)ethylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(2-methylsulfanylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[[2-(methylthio)ethylamino]methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S/c1-25-20(24)17-7-10-22(11-8-17)14-18(23)15-26-19-5-3-16(4-6-19)13-21-9-12-27-2/h3-6,17-18,21,23H,7-15H2,1-2H3