2-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-6-methyl-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-6-methyl-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]methyl]-3-hydroxy-6-methyl-pyran-4-one CAS Name: 2-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]methyl]-3-hydroxy-6-methyl-4-pyranone IUPAC Name: 2-[[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one Traditional Name: 2-[[4-(4-bromophenyl)-4-hydroxy-piperidino]methyl]-3-hydroxy-6-methyl-pyran-4-one Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)CN2CCC(CC2)(C3=CC=C(C=C3)Br)O)O

InChI

InChI=1S/C18H20BrNO4/c1-12-10-15(21)17(22)16(24-12)11-20-8-6-18(23,7-9-20)13-2-4-14(19)5-3-13/h2-5,10,22-23H,6-9,11H2,1H3