methyl 1-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]isonipecotic acid methyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C23H36N2O4/c1-28-23(27)20-9-13-25(14-10-20)16-19-7-6-8-22(15-19)29-18-21(26)17-24-11-4-2-3-5-12-24/h6-8,15,20-21,26H,2-5,9-14,16-18H2,1H3