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

Systemtic Name: methyl 1-[2-oxidanyl-3-[4-[(thiophen-3-ylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[(3-thienylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[(3-thiophenylmethylamino)methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(thiophen-3-ylmethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(3-thenylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-27-22(26)19-6-9-24(10-7-19)14-20(25)15-28-21-4-2-17(3-5-21)12-23-13-18-8-11-29-16-18/h2-5,8,11,16,19-20,23,25H,6-7,9-10,12-15H2,1H3