Tuesday, September 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide hydrochloride
CAS Name: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-(1-piperazinyl)-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide hydrochloride
IUPAC NAME: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide hydrochloride
SYSTEMATIC NAME: N-[4-(3-methoxyphenyl)-5,7-dimethyl-8-oxidanyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]ethanamide hydrochloride
MOLECULAR FORMULA: C28H38ClN3O3
MOLECULAR WEIGHT: 500.07262
SMILES: CC1=CC(=C(C2=C1C3C(CCCC3C2(NC(=O)C)N4CCNCC4)C5=CC(=CC=C5)OC)O)C.Cl
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Product OPENEYE NAME: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide
CAS Name: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-(1-piperazinyl)-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide
IUPAC NAME: N-[8-hydroxy-4-(3-methoxyphenyl)-5,7-dimethyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]acetamide
SYSTEMATIC NAME: N-[4-(3-methoxyphenyl)-5,7-dimethyl-8-oxidanyl-9-piperazin-1-yl-1,2,3,4,4a,9a-hexahydrofluoren-9-yl]ethanamide
MOLECULAR FORMULA: C28H37N3O3
MOLECULAR WEIGHT: 463.61168
SMILES: CC1=CC(=C(C2=C1C3C(CCCC3C2(NC(=O)C)N4CCNCC4)C5=CC(=CC=C5)OC)O)C
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Product OPENEYE NAME: 9a-hydroxy-5-methyl-7-nitro-2,3,4,4a-tetrahydro-1H-fluoren-9-one
CAS Name: 9a-hydroxy-5-methyl-7-nitro-2,3,4,4a-tetrahydro-1H-fluoren-9-one
IUPAC NAME: 9a-hydroxy-5-methyl-7-nitro-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SYSTEMATIC NAME: 5-methyl-7-nitro-9a-oxidanyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: CC1=C2C3CCCCC3(C(=O)C2=CC(=C1)[N+](=O)[O-])O
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Product OPENEYE NAME: 2,3,4,9-tetrahydro-1H-fluorene hydrochloride
CAS Name: 2,3,4,9-tetrahydro-1H-fluorene hydrochloride
IUPAC NAME: 2,3,4,9-tetrahydro-1H-fluorene hydrochloride
SYSTEMATIC NAME: 2,3,4,9-tetrahydro-1H-fluorene hydrochloride
MOLECULAR FORMULA: C13H15Cl
MOLECULAR WEIGHT: 206.7112
SMILES: C1CCC2=C(C1)CC3=CC=CC=C23.Cl
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Product OPENEYE NAME: 1-tert-butyl-8-hydroxy-5,9a-dimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
CAS Name: 1-tert-butyl-8-hydroxy-5,9a-dimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
IUPAC NAME: 1-tert-butyl-8-hydroxy-5,9a-dimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SYSTEMATIC NAME: 1-tert-butyl-5,9a-dimethyl-8-oxidanyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC1=C2C3CCCC(C3(C(=O)C2=C(C=C1)O)C)C(C)(C)C
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Product OPENEYE NAME: N-(8-hydroxy-5-methyl-9-oxo-1,2,3,4,4a,9a-hexahydrofluoren-1-yl)acetamide
CAS Name: N-(8-hydroxy-5-methyl-9-oxo-1,2,3,4,4a,9a-hexahydrofluoren-1-yl)acetamide
IUPAC NAME: N-(8-hydroxy-5-methyl-9-oxo-1,2,3,4,4a,9a-hexahydrofluoren-1-yl)acetamide
SYSTEMATIC NAME: N-(5-methyl-8-oxidanyl-9-oxidanylidene-1,2,3,4,4a,9a-hexahydrofluoren-1-yl)ethanamide
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CC1=C2C3CCCC(C3C(=O)C2=C(C=C1)O)NC(=O)C
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Product OPENEYE NAME: 8-methoxy-1,1-dimethyl-2,3,4,4a-tetrahydrofluorene
CAS Name: 8-methoxy-1,1-dimethyl-2,3,4,4a-tetrahydrofluorene
IUPAC NAME: 8-methoxy-1,1-dimethyl-2,3,4,4a-tetrahydrofluorene
SYSTEMATIC NAME: 8-methoxy-1,1-dimethyl-2,3,4,4a-tetrahydrofluorene
MOLECULAR FORMULA: C16H20O
MOLECULAR WEIGHT: 228.3294
SMILES: CC1(CCCC2C1=CC3=C2C=CC=C3OC)C
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Product OPENEYE NAME: 1-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
CAS Name: 1-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
IUPAC NAME: 1-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
SYSTEMATIC NAME: 5-methyl-1-oxidanyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC1=CC=CC2=C1C3CCCC(C3C2=O)O
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Product OPENEYE NAME: 4-methyl-9-(methylamino)-2-sec-butyl-4b,5,6,7,8,9-hexahydrofluoren-8a-ol hydrochloride
CAS Name: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol hydrochloride
IUPAC NAME: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol hydrochloride
SYSTEMATIC NAME: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol hydrochloride
MOLECULAR FORMULA: C19H30ClNO
MOLECULAR WEIGHT: 323.9006
SMILES: CCC(C)C1=CC(=C2C3CCCCC3(C(C2=C1)NC)O)C.Cl
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Product OPENEYE NAME: 4-methyl-9-(methylamino)-2-sec-butyl-4b,5,6,7,8,9-hexahydrofluoren-8a-ol
CAS Name: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol
IUPAC NAME: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol
SYSTEMATIC NAME: 2-butan-2-yl-4-methyl-9-(methylamino)-4b,5,6,7,8,9-hexahydrofluoren-8a-ol
MOLECULAR FORMULA: C19H29NO
MOLECULAR WEIGHT: 287.43966
SMILES: CCC(C)C1=CC(=C2C3CCCCC3(C(C2=C1)NC)O)C
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Product OPENEYE NAME: N-[9a-hydroxy-5-methyl-7-(1-methylallyl)-1,2,3,4,4a,9-hexahydrofluoren-9-yl]-N-methyl-acetamide
CAS Name: N-(7-but-3-en-2-yl-9a-hydroxy-5-methyl-1,2,3,4,4a,9-hexahydrofluoren-9-yl)-N-methylacetamide
IUPAC NAME: N-(7-but-3-en-2-yl-9a-hydroxy-5-methyl-1,2,3,4,4a,9-hexahydrofluoren-9-yl)-N-methylacetamide
SYSTEMATIC NAME: N-(7-but-3-en-2-yl-5-methyl-9a-oxidanyl-1,2,3,4,4a,9-hexahydrofluoren-9-yl)-N-methyl-ethanamide
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CC1=C2C3CCCCC3(C(C2=CC(=C1)C(C)C=C)N(C)C(=O)C)O
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Product OPENEYE NAME: (Z)-1-(carboxymethoxy)octylidene-methoxy-methyl-ammonium
CAS Name: (Z)-1-(carboxymethoxy)octylidene-methoxy-methylammonium
IUPAC NAME: (Z)-1-(carboxymethoxy)octylidene-methoxy-methylazanium
SYSTEMATIC NAME: (Z)-1-(2-hydroxy-2-oxoethyloxy)octylidene-methoxy-methyl-azanium
MOLECULAR FORMULA: C12H24NO4+
MOLECULAR WEIGHT: 246.32326
SMILES: CCCCCCC/C(=[N+](\C)/OC)/OCC(=O)O
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Product OPENEYE NAME: 2-hydroxy-2-octanoyloxy-acetate
CAS Name: 2-hydroxy-2-(1-oxooctoxy)acetate
IUPAC NAME: 2-hydroxy-2-octanoyloxyacetate
SYSTEMATIC NAME: 2-octanoyloxy-2-oxidanyl-ethanoate
MOLECULAR FORMULA: C10H17O5-
MOLECULAR WEIGHT: 217.23898
SMILES: CCCCCCCC(=O)OC(C(=O)[O-])O
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Product OPENEYE NAME: 2-hydroxy-2-octanoyloxy-acetic acid
CAS Name: 2-hydroxy-2-(1-oxooctoxy)acetic acid
IUPAC NAME: 2-hydroxy-2-octanoyloxyacetic acid
SYSTEMATIC NAME: 2-octanoyloxy-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C10H18O5
MOLECULAR WEIGHT: 218.24692
SMILES: CCCCCCCC(=O)OC(C(=O)O)O
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Product OPENEYE NAME: (E)-3-[3-(4-chlorophenyl)-2-pyridyl]-N,N-dimethyl-prop-2-en-1-amine
CAS Name: (E)-3-[3-(4-chlorophenyl)-2-pyridinyl]-N,N-dimethyl-2-propen-1-amine
IUPAC NAME: (E)-3-[3-(4-chlorophenyl)pyridin-2-yl]-N,N-dimethylprop-2-en-1-amine
SYSTEMATIC NAME: (E)-3-[3-(4-chlorophenyl)pyridin-2-yl]-N,N-dimethyl-prop-2-en-1-amine
MOLECULAR FORMULA: C16H17ClN2
MOLECULAR WEIGHT: 272.77258
SMILES: CN(C)C/C=C/C1=C(C=CC=N1)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-(m-tolyl)-2H-chromene
CAS Name: 2-(3-methylphenyl)-2H-1-benzopyran
IUPAC NAME: 2-(3-methylphenyl)-2H-chromene
SYSTEMATIC NAME: 2-(3-methylphenyl)-2H-chromene
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: CC1=CC=CC(=C1)C2C=CC3=CC=CC=C3O2
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Product OPENEYE NAME: 4-[1-methyl-2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]benzonitrile
CAS Name: 4-[1-oxo-1-(2,4,5-trihydroxyphenyl)propan-2-yl]benzonitrile
IUPAC NAME: 4-[1-oxo-1-(2,4,5-trihydroxyphenyl)propan-2-yl]benzonitrile
SYSTEMATIC NAME: 4-[1-oxidanylidene-1-[2,4,5-tris(oxidanyl)phenyl]propan-2-yl]benzenecarbonitrile
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: CC(C1=CC=C(C=C1)C#N)C(=O)C2=CC(=C(C=C2O)O)O
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Product OPENEYE NAME: 4-(trifluoromethyl)benzene-1,2,3-triol
CAS Name: 4-(trifluoromethyl)benzene-1,2,3-triol
IUPAC NAME: 4-(trifluoromethyl)benzene-1,2,3-triol
SYSTEMATIC NAME: 4-(trifluoromethyl)benzene-1,2,3-triol
MOLECULAR FORMULA: C7H5F3O3
MOLECULAR WEIGHT: 194.10801
SMILES: C1=CC(=C(C(=C1C(F)(F)F)O)O)O
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Product OPENEYE NAME: 4-(2H-chromen-2-yl)phenol
CAS Name: 4-(2H-1-benzopyran-2-yl)phenol
IUPAC NAME: 4-(2H-chromen-2-yl)phenol
SYSTEMATIC NAME: 4-(2H-chromen-2-yl)phenol
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C2C(=C1)C=CC(O2)C3=CC=C(C=C3)O
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Product OPENEYE NAME: 2-(1,3-benzodioxol-5-yl)-2H-chromene
CAS Name: 2-(1,3-benzodioxol-5-yl)-2H-1-benzopyran
IUPAC NAME: 2-(1,3-benzodioxol-5-yl)-2H-chromene
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-2H-chromene
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: C1OC2=C(O1)C=C(C=C2)C3C=CC4=CC=CC=C4O3
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