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

Systemtic Name: 1-[5-bromanyl-2-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]phenyl]ethanone CAS Name: 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]phenyl]ethanone IUPAC Name: 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[5-bromo-2-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]phenyl]ethanone Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Br)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Br)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O

InChI

InChI=1S/C22H26BrNO4/c1-16(25)20-13-18(23)7-8-21(20)28-15-19(26)14-24-11-9-22(27,10-12-24)17-5-3-2-4-6-17/h2-8,13,19,26-27H,9-12,14-15H2,1H3