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

Systemtic Name: methyl 1-[2-oxidanyl-3-[4-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[4-[[2-(1-piperidyl)ethylamino]methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[4-[[2-(1-piperidinyl)ethylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[4-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[4-[(2-piperidinoethylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C24H39N3O4 MolecularWeight: 433.58416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCN3CCCCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCN3CCCCC3)O

InChI

InChI=1S/C24H39N3O4/c1-30-24(29)21-9-14-27(15-10-21)18-22(28)19-31-23-7-5-20(6-8-23)17-25-11-16-26-12-3-2-4-13-26/h5-8,21-22,25,28H,2-4,9-19H2,1H3