Monday, July 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [3-[2-(tert-butylamino)-3-phenyl-propanoyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-[2-(tert-butylamino)-1-oxo-3-phenylpropyl]-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-[2-(tert-butylamino)-3-phenylpropanoyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-3-phenyl-propanoyl]-5-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
MOLECULAR FORMULA: C43H47NO9
MOLECULAR WEIGHT: 721.83458
SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(=O)C(CC3=CC=CC=C3)NC(C)(C)C)OC(=O)C4=CC=C(C=C4)OC(=O)C(C)(C)C
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Product OPENEYE NAME: 2-methylpropan-2-amine; [3-[4-(2-methylpropanoyloxy)benzoyl]oxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate; hydrochloride
CAS Name: 4-(2-methyl-1-oxopropoxy)benzoic acid [3-[[4-(2-methyl-1-oxopropoxy)phenyl]-oxomethoxy]-5-(1-oxo-3-phenylpropyl)phenyl] ester; 2-methyl-2-propanamine; hydrochloride
IUPAC NAME: 2-methylpropan-2-amine; [3-[4-(2-methylpropanoyloxy)benzoyl]oxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate; hydrochloride
SYSTEMATIC NAME: 2-methylpropan-2-amine; [3-[4-(2-methylpropanoyloxy)phenyl]carbonyloxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate; hydrochloride
MOLECULAR FORMULA: C41H46ClNO9
MOLECULAR WEIGHT: 732.25824
SMILES: CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(=O)CCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(=O)C(C)C.CC(C)(C)N.Cl
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Product OPENEYE NAME: [3-[4-(2-methylpropanoyloxy)benzoyl]oxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate
CAS Name: 4-(2-methyl-1-oxopropoxy)benzoic acid [3-[[4-(2-methyl-1-oxopropoxy)phenyl]-oxomethoxy]-5-(1-oxo-3-phenylpropyl)phenyl] ester
IUPAC NAME: [3-[4-(2-methylpropanoyloxy)benzoyl]oxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-[4-(2-methylpropanoyloxy)phenyl]carbonyloxy-5-(3-phenylpropanoyl)phenyl] 4-(2-methylpropanoyloxy)benzoate
MOLECULAR FORMULA: C37H34O9
MOLECULAR WEIGHT: 622.66046
SMILES: CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(=O)CCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(=O)C(C)C
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Product OPENEYE NAME: 2-[4-[2-[3-acetyl-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
CAS Name: 2-[4-[[2-[3-acetyl-5-[2-[[4-(carboxymethyl)phenyl]-oxomethoxy]phenyl]phenyl]phenoxy]-oxomethyl]phenyl]acetic acid
IUPAC NAME: 2-[4-[2-[3-acetyl-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-[3-ethanoyl-5-[2-[4-(2-hydroxy-2-oxoethyl)phenyl]carbonyloxyphenyl]phenyl]phenoxy]carbonylphenyl]ethanoic acid
MOLECULAR FORMULA: C38H28O9
MOLECULAR WEIGHT: 628.62352
SMILES: CC(=O)C1=CC(=CC(=C1)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)CC(=O)O)C4=CC=CC=C4OC(=O)C5=CC=C(C=C5)CC(=O)O
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Product OPENEYE NAME: [3-acetyl-5-[4-(2-methylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2-methylpropanoyloxy)benzoate
CAS Name: 4-(2-methyl-1-oxopropoxy)benzoic acid [3-acetyl-5-[[4-(2-methyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-acetyl-5-[4-(2-methylpropanoyloxy)benzoyl]oxyphenyl] 4-(2-methylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-ethanoyl-5-[4-(2-methylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2-methylpropanoyloxy)benzoate
MOLECULAR FORMULA: C30H28O9
MOLECULAR WEIGHT: 532.53792
SMILES: CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(=O)C)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)C
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Product OPENEYE NAME: 2-[4-[2-[3-(2-bromoacetyl)-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
CAS Name: 2-[4-[[2-[3-(2-bromo-1-oxoethyl)-5-[2-[[4-(carboxymethyl)phenyl]-oxomethoxy]phenyl]phenyl]phenoxy]-oxomethyl]phenyl]acetic acid
IUPAC NAME: 2-[4-[2-[3-(2-bromoacetyl)-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-[3-(2-bromanylethanoyl)-5-[2-[4-(2-hydroxy-2-oxoethyl)phenyl]carbonyloxyphenyl]phenyl]phenoxy]carbonylphenyl]ethanoic acid
MOLECULAR FORMULA: C38H27BrO9
MOLECULAR WEIGHT: 707.51958
SMILES: C1=CC=C(C(=C1)C2=CC(=CC(=C2)C(=O)CBr)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)CC(=O)O)OC(=O)C5=CC=C(C=C5)CC(=O)O
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Product OPENEYE NAME: [3-(4-benzoyloxybenzoyl)oxy-5-(2-bromoacetyl)phenyl] 4-benzoyloxybenzoate
CAS Name: 4-benzoyloxybenzoic acid [3-[(4-benzoyloxyphenyl)-oxomethoxy]-5-(2-bromo-1-oxoethyl)phenyl] ester
IUPAC NAME: [3-(4-benzoyloxybenzoyl)oxy-5-(2-bromoacetyl)phenyl] 4-benzoyloxybenzoate
SYSTEMATIC NAME: [3-(2-bromanylethanoyl)-5-[4-(phenylcarbonyloxy)phenyl]carbonyloxy-phenyl] 4-(phenylcarbonyloxy)benzoate
MOLECULAR FORMULA: C36H23BrO9
MOLECULAR WEIGHT: 679.46642
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3=CC(=CC(=C3)C(=O)CBr)OC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: [3-acetyl-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-acetyl-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-acetyl-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-5-ethanoyl-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
MOLECULAR FORMULA: C32H32O9
MOLECULAR WEIGHT: 560.59108
SMILES: CC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)(C)C
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Product OPENEYE NAME: 2-(4-chlorocarbonylphenyl)acetic acid
CAS Name: 2-(4-carbonochloridoylphenyl)acetic acid
IUPAC NAME: 2-(4-carbonochloridoylphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-carbonochloridoylphenyl)ethanoic acid
MOLECULAR FORMULA: C9H7ClO3
MOLECULAR WEIGHT: 198.60308
SMILES: C1=CC(=CC=C1CC(=O)O)C(=O)Cl
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Product OPENEYE NAME: [3-acetyl-5-(4-hydroxybenzoyl)oxy-phenyl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [3-acetyl-5-[(4-hydroxyphenyl)-oxomethoxy]phenyl] ester
IUPAC NAME: [3-acetyl-5-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
SYSTEMATIC NAME: [3-ethanoyl-5-(4-hydroxyphenyl)carbonyloxy-phenyl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H16O7
MOLECULAR WEIGHT: 392.35824
SMILES: CC(=O)C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O
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Product OPENEYE NAME: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-hydroxybenzoyl)oxy-phenyl] 4-hydroxybenzoate sulfate
CAS Name: 4-hydroxybenzoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(4-hydroxyphenyl)-oxomethoxy]phenyl] ester sulfate
IUPAC NAME: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate sulfate
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-hydroxyphenyl)carbonyloxy-phenyl] 4-oxidanylbenzoate sulfate
MOLECULAR FORMULA: C26H27NO11S-2
MOLECULAR WEIGHT: 561.55768
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-(4-hydroxybenzoyl)oxy-phenyl] 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(4-hydroxyphenyl)-oxomethoxy]phenyl] ester
IUPAC NAME: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-(4-hydroxyphenyl)carbonyloxy-phenyl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C26H27NO7
MOLECULAR WEIGHT: 465.49508
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O
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Product OPENEYE NAME: [3-(4-benzoyloxybenzoyl)oxy-5-[2-(tert-butylamino)-1-hydroxy-ethyl]phenyl] 4-benzoyloxybenzoate hydrochloride
CAS Name: 4-benzoyloxybenzoic acid [3-[(4-benzoyloxyphenyl)-oxomethoxy]-5-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] ester hydrochloride
IUPAC NAME: [3-(4-benzoyloxybenzoyl)oxy-5-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-benzoyloxybenzoate hydrochloride
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-[4-(phenylcarbonyloxy)phenyl]carbonyloxy-phenyl] 4-(phenylcarbonyloxy)benzoate hydrochloride
MOLECULAR FORMULA: C40H36ClNO9
MOLECULAR WEIGHT: 710.16814
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)O.Cl
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Product OPENEYE NAME: [3-(4-benzoyloxybenzoyl)oxy-5-[2-(tert-butylamino)-1-hydroxy-ethyl]phenyl] 4-benzoyloxybenzoate
CAS Name: 4-benzoyloxybenzoic acid [3-[(4-benzoyloxyphenyl)-oxomethoxy]-5-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] ester
IUPAC NAME: [3-(4-benzoyloxybenzoyl)oxy-5-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-benzoyloxybenzoate
SYSTEMATIC NAME: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-[4-(phenylcarbonyloxy)phenyl]carbonyloxy-phenyl] 4-(phenylcarbonyloxy)benzoate
MOLECULAR FORMULA: C40H35NO9
MOLECULAR WEIGHT: 673.7072
SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)O
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