Monday, October 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[2-[2-(2-methylphenoxy)ethylperoxy]-2-oxo-acetyl]thiophene-3-carboxylate
CAS Name: 2-[2-[2-(2-methylphenoxy)ethyldioxy]-1,2-dioxoethyl]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[2-[2-(2-methylphenoxy)ethylperoxy]-2-oxoacetyl]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-[2-(2-methylphenoxy)ethylperoxy]-2-oxidanylidene-ethanoyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C17H16O7S
MOLECULAR WEIGHT: 364.36974
SMILES: CC1=CC=CC=C1OCCOOC(=O)C(=O)C2=C(C=CS2)C(=O)OC
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Product OPENEYE NAME: 2-(3-fluorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(3-fluorophenoxy)ethyl ester
IUPAC NAME: 2-(3-fluorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-(3-fluoranylphenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H11FO5
MOLECULAR WEIGHT: 302.253943
SMILES: C1=CC(=CC(=C1)F)OCCOC(=O)C(=O)C2=C3C(=CC=C2)O3
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Product OPENEYE NAME: 2-(cyclooctoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-cyclooctyloxyethyl ester
IUPAC NAME: 2-cyclooctyloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-cyclooctyloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C18H22O5
MOLECULAR WEIGHT: 318.36428
SMILES: C1CCCC(CCC1)OCCOC(=O)C(=O)C2=C3C(=CC=C2)O3
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Product OPENEYE NAME: amino 2-[2-[2-(2-naphthyl)ethyl]phenyl]-2-oxo-acetate
CAS Name: 2-[2-[2-(2-naphthalenyl)ethyl]phenyl]-2-oxoacetic acid amino ester
IUPAC NAME: amino 2-[2-(2-naphthalen-2-ylethyl)phenyl]-2-oxoacetate
SYSTEMATIC NAME: azanyl 2-[2-(2-naphthalen-2-ylethyl)phenyl]-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C20H17NO3
MOLECULAR WEIGHT: 319.35388
SMILES: C1=CC=C2C=C(C=CC2=C1)CCC3=CC=CC=C3C(=O)C(=O)ON
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Product OPENEYE NAME: 3-(naphthalene-2-carbonylamino)prop-1-ynyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid 3-[[2-naphthalenyl(oxo)methyl]amino]prop-1-ynyl ester
IUPAC NAME: 3-(naphthalene-2-carbonylamino)prop-1-ynyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: 3-(naphthalen-2-ylcarbonylamino)prop-1-ynyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C22H15NO4
MOLECULAR WEIGHT: 357.3588
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OC#CCNC(=O)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2-(1H-indol-3-yloxy)ethyl 2-oxo-2-(1-oxo-2-thienyl)acetate
CAS Name: 2-oxo-2-(1-oxo-2-thiophenyl)acetic acid 2-(1H-indol-3-yloxy)ethyl ester
IUPAC NAME: 2-(1H-indol-3-yloxy)ethyl 2-oxo-2-(1-oxothiophen-2-yl)acetate
SYSTEMATIC NAME: 2-(1H-indol-3-yloxy)ethyl 2-oxidanylidene-2-(1-oxidanylidenethiophen-2-yl)ethanoate
MOLECULAR FORMULA: C16H13NO5S
MOLECULAR WEIGHT: 331.34312
SMILES: C1=CC=C2C(=C1)C(=CN2)OCCOC(=O)C(=O)C3=CC=CS3=O
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Product OPENEYE NAME: [3-methyl-2-[3-(2-oxo-2-phenyl-acetyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate
CAS Name: 2,2-dimethylbutanoic acid [2-[3-(1,2-dioxo-2-phenylethyl)dioxyprop-1-ynyl]-3-methylphenyl]methyl ester
IUPAC NAME: [3-methyl-2-[3-(2-oxo-2-phenylacetyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate
SYSTEMATIC NAME: [3-methyl-2-[3-(2-oxidanylidene-2-phenyl-ethanoyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CCC(C)(C)C(=O)OCC1=CC=CC(=C1C#CCOOC(=O)C(=O)C2=CC=CC=C2)C
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Product OPENEYE NAME: oxaldehydic acid; 2-phenoxy-1-(4-phenylpiperazin-1-yl)ethanone
CAS Name: oxaldehydic acid; 2-phenoxy-1-(4-phenyl-1-piperazinyl)ethanone
IUPAC NAME: oxaldehydic acid; 2-phenoxy-1-(4-phenylpiperazin-1-yl)ethanone
SYSTEMATIC NAME: oxaldehydic acid; 2-phenoxy-1-(4-phenylpiperazin-1-yl)ethanone
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=CC=C3.C(=O)C(=O)O
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Product OPENEYE NAME: (2E)-2-allyloxyimino-2-(2-thienyl)acetic acid
CAS Name: (2E)-2-prop-2-enoxyimino-2-thiophen-2-ylacetic acid
IUPAC NAME: (2E)-2-prop-2-enoxyimino-2-thiophen-2-ylacetic acid
SYSTEMATIC NAME: (2E)-2-prop-2-enoxyimino-2-thiophen-2-yl-ethanoic acid
MOLECULAR FORMULA: C9H9NO3S
MOLECULAR WEIGHT: 211.23766
SMILES: C=CCO/N=C(/C1=CC=CS1)\C(=O)O
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Product OPENEYE NAME: 2-[3-[(E)-cinnamyl]oxy-2-thienyl]acetic acid
CAS Name: 2-[3-[(E)-3-phenylprop-2-enoxy]-2-thiophenyl]acetic acid
IUPAC NAME: 2-[3-[(E)-3-phenylprop-2-enoxy]thiophen-2-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[(E)-3-phenylprop-2-enoxy]thiophen-2-yl]ethanoic acid
MOLECULAR FORMULA: C15H14O3S
MOLECULAR WEIGHT: 274.33486
SMILES: C1=CC=C(C=C1)/C=C/COC2=C(SC=C2)CC(=O)O
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Product OPENEYE NAME: 2-(3-ethoxy-2-thienyl)acetic acid
CAS Name: 2-(3-ethoxy-2-thiophenyl)acetic acid
IUPAC NAME: 2-(3-ethoxythiophen-2-yl)acetic acid
SYSTEMATIC NAME: 2-(3-ethoxythiophen-2-yl)ethanoic acid
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CCOC1=C(SC=C1)CC(=O)O
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Product OPENEYE NAME: [2-hydroxy-2-(2-methylphenoxy)propyl] 2,2-dimethylbutanoate
CAS Name: 2,2-dimethylbutanoic acid [2-hydroxy-2-(2-methylphenoxy)propyl] ester
IUPAC NAME: [2-hydroxy-2-(2-methylphenoxy)propyl] 2,2-dimethylbutanoate
SYSTEMATIC NAME: [2-(2-methylphenoxy)-2-oxidanyl-propyl] 2,2-dimethylbutanoate
MOLECULAR FORMULA: C16H24O4
MOLECULAR WEIGHT: 280.35936
SMILES: CCC(C)(C)C(=O)OCC(C)(O)OC1=CC=CC=C1C
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Product OPENEYE NAME: 2-(2-chlorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(2-chlorophenoxy)ethyl ester
IUPAC NAME: 2-(2-chlorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H11ClO5
MOLECULAR WEIGHT: 318.70854
SMILES: C1=CC=C(C(=C1)OCCOC(=O)C(=O)C2=C3C(=CC=C2)O3)Cl
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Product OPENEYE NAME: trifluoromethylsulfonyl 2-oxo-2-phenyl-acetate
CAS Name: 2-oxo-2-phenylacetic acid trifluoromethylsulfonyl ester
IUPAC NAME: trifluoromethylsulfonyl 2-oxo-2-phenylacetate
SYSTEMATIC NAME: trifluoromethylsulfonyl 2-oxidanylidene-2-phenyl-ethanoate
MOLECULAR FORMULA: C9H5F3O5S
MOLECULAR WEIGHT: 282.19321
SMILES: C1=CC=C(C=C1)C(=O)C(=O)OS(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl 2-oxo-2-phenyl-peroxyacetate
CAS Name: 2-oxo-2-phenylethaneperoxoic acid 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl ester
IUPAC NAME: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl 2-oxo-2-phenylethaneperoxoate
SYSTEMATIC NAME: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl 2-oxidanylidene-2-phenyl-ethaneperoxoate
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOOC(=O)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]acetic acid
CAS Name: 2-[3-[(2,2-dimethyl-1-oxobutoxy)methyl]-2-[2-(2-methylphenoxy)ethoxy]phenyl]acetic acid
IUPAC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-(2,2-dimethylbutanoyloxymethyl)-2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanoic acid
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: CCC(C)(C)C(=O)OCC1=CC=CC(=C1OCCOC2=CC=CC=C2C)CC(=O)O
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Product OPENEYE NAME: 2-(7-isoquinolyloxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(7-isoquinolinyloxy)ethyl ester
IUPAC NAME: 2-isoquinolin-7-yloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-isoquinolin-7-yloxyethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C19H13NO5
MOLECULAR WEIGHT: 335.31022
SMILES: C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCOC3=CC4=C(C=C3)C=CN=C4
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Product OPENEYE NAME: 2-(4-chlorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 2-(4-chlorophenoxy)ethyl ester
IUPAC NAME: 2-(4-chlorophenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)ethyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C16H11ClO5
MOLECULAR WEIGHT: 318.70854
SMILES: C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5-(4-fluorophenoxy)pentyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxo-acetate
CAS Name: 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetic acid 5-(4-fluorophenoxy)pentyl ester
IUPAC NAME: 5-(4-fluorophenoxy)pentyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxoacetate
SYSTEMATIC NAME: 5-(4-fluoranylphenoxy)pentyl 2-(7-oxabicyclo[4.1.0]hepta-1,3,5-trien-5-yl)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C19H17FO5
MOLECULAR WEIGHT: 344.333683
SMILES: C1=CC(=C2C(=C1)O2)C(=O)C(=O)OCCCCCOC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[4-(4-fluorophenyl)-3-quinolyl]-3-methyl-2-methylene-butan-1-ol
CAS Name: 1-[4-(4-fluorophenyl)-3-quinolinyl]-3-methyl-2-methylene-1-butanol
IUPAC NAME: 1-[4-(4-fluorophenyl)quinolin-3-yl]-3-methyl-2-methylidenebutan-1-ol
SYSTEMATIC NAME: 1-[4-(4-fluorophenyl)quinolin-3-yl]-3-methyl-2-methylidene-butan-1-ol
MOLECULAR FORMULA: C21H20FNO
MOLECULAR WEIGHT: 321.388003
SMILES: CC(C)C(=C)C(C1=C(C2=CC=CC=C2N=C1)C3=CC=C(C=C3)F)O
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Product OPENEYE NAME: 2-[2-[2-(2-naphthyloxy)ethoxy]phenyl]-2-oxo-acetyl chloride
CAS Name: 2-[2-[2-(2-naphthalenyloxy)ethoxy]phenyl]-2-oxoacetyl chloride
IUPAC NAME: 2-[2-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetyl chloride
SYSTEMATIC NAME: 2-[2-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxidanylidene-ethanoyl chloride
MOLECULAR FORMULA: C20H15ClO4
MOLECULAR WEIGHT: 354.7837
SMILES: C1=CC=C2C=C(C=CC2=C1)OCCOC3=CC=CC=C3C(=O)C(=O)Cl
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Product OPENEYE NAME: [2-[2-oxo-2-(2-phenoxyethylperoxy)acetyl]-3-thienyl]methyl 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid [2-[1,2-dioxo-2-(2-phenoxyethyldioxy)ethyl]-3-thiophenyl]methyl ester
IUPAC NAME: [2-[2-oxo-2-(2-phenoxyethylperoxy)acetyl]thiophen-3-yl]methyl 4-fluorobenzoate
SYSTEMATIC NAME: [2-[2-oxidanylidene-2-(2-phenoxyethylperoxy)ethanoyl]thiophen-3-yl]methyl 4-fluoranylbenzoate
MOLECULAR FORMULA: C22H17FO7S
MOLECULAR WEIGHT: 444.429583
SMILES: C1=CC=C(C=C1)OCCOOC(=O)C(=O)C2=C(C=CS2)COC(=O)C3=CC=C(C=C3)F
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