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

Systemtic Name: methyl 1-[2-oxidanyl-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[2-hydroxy-3-[3-[[3-(1-pyrazolyl)propylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[2-hydroxy-3-[3-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCCN3C=CC=N3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNCCCN3C=CC=N3)O

InChI

InChI=1S/C23H34N4O4/c1-30-23(29)20-7-13-26(14-8-20)17-21(28)18-31-22-6-2-5-19(15-22)16-24-9-3-11-27-12-4-10-25-27/h2,4-6,10,12,15,20-21,24,28H,3,7-9,11,13-14,16-18H2,1H3