methyl 1-[3-[4-[(4-ethanoylpiperazin-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[4-[(4-ethanoylpiperazin-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[4-[(4-acetylpiperazin-1-yl)methyl]phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate CAS Name: 1-[3-[4-[(4-acetyl-1-piperazinyl)methyl]phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[4-[(4-acetylpiperazin-1-yl)methyl]phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[3-[4-[(4-acetylpiperazino)methyl]phenoxy]-2-hydroxy-propyl]isonipecotic acid methyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC(CN3CCC(CC3)C(=O)OC)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)OCC(CN3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C23H35N3O5/c1-18(27)26-13-11-25(12-14-26)15-19-3-5-22(6-4-19)31-17-21(28)16-24-9-7-20(8-10-24)23(29)30-2/h3-6,20-21,28H,7-17H2,1-2H3