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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=C(C=C2)CNCCCN3C=CC=N3)O

InChI

InChI=1S/C23H34N4O4/c1-30-23(29)20-8-14-26(15-9-20)17-21(28)18-31-22-6-4-19(5-7-22)16-24-10-2-12-27-13-3-11-25-27/h3-7,11,13,20-21,24,28H,2,8-10,12,14-18H2,1H3/t21-/m0/s1