1-[2-methyl-4-[3-oxidanyl-3-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[2-methyl-4-[3-oxidanyl-3-(4-oxidanyl-4-pyridin-3-yl-piperidin-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-hydroxy-3-[4-hydroxy-4-(3-pyridyl)-1-piperidyl]propoxy]-2-methyl-phenyl]ethanone CAS Name: 1-[4-[3-hydroxy-3-[4-hydroxy-4-(3-pyridinyl)-1-piperidinyl]propoxy]-2-methylphenyl]ethanone IUPAC Name: 1-[4-[3-hydroxy-3-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)propoxy]-2-methylphenyl]ethanone Traditional Name: 1-[4-[3-hydroxy-3-[4-hydroxy-4-(3-pyridyl)piperidino]propoxy]-2-methyl-phenyl]ethanone Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(N2CCC(CC2)(C3=CN=CC=C3)O)O)C(=O)C

InChI

InChI=1S/C22H28N2O4/c1-16-14-19(5-6-20(16)17(2)25)28-13-7-21(26)24-11-8-22(27,9-12-24)18-4-3-10-23-15-18/h3-6,10,14-15,21,26-27H,7-9,11-13H2,1-2H3