1-[2,5-bis[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2,5-bis[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]phenyl]ethanone CAS Name: 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]phenyl]ethanone IUPAC Name: 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[2,5-bis[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]phenyl]ethanone Formula: C36H46N2O7 MolecularWeight: 618.75964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O

InChI

InChI=1S/C36H46N2O7/c1-27(39)33-22-32(44-25-30(40)23-37-18-14-35(42,15-19-37)28-8-4-2-5-9-28)12-13-34(33)45-26-31(41)24-38-20-16-36(43,17-21-38)29-10-6-3-7-11-29/h2-13,22,30-31,40-43H,14-21,23-26H2,1H3