1-[2,6-bis[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2,6-bis[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]phenyl]ethanone CAS Name: 1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]phenyl]ethanone IUPAC Name: 1-[2,6-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[2,6-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=C1OCC(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=C1OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O)OCC(CN4CCC(CC4)(C5=CC=CC=C5)O)O

InChI

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