2-[[3-bromanyl-4-(dimethylamino)phenyl]-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[[3-bromanyl-4-(dimethylamino)phenyl]-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[[3-bromo-4-(dimethylamino)phenyl]-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[[3-bromo-4-(dimethylamino)phenyl]-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[[3-bromo-4-(dimethylamino)phenyl]-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[[3-bromo-4-(dimethylamino)phenyl]-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)N(C)C)Br)C3=C(CC(CC3=O)(C)C)O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC(=C(C=C2)N(C)C)Br)C3=C(CC(CC3=O)(C)C)O)O)C

InChI

InChI=1S/C25H32BrNO4/c1-24(2)10-17(28)22(18(29)11-24)21(14-7-8-16(27(5)6)15(26)9-14)23-19(30)12-25(3,4)13-20(23)31/h7-9,21,28,30H,10-13H2,1-6H3