Monday, July 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-[2-[3-[2-[benzyl(tert-butyl)amino]acetyl]-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
CAS Name: 2-[4-[[2-[3-[2-[tert-butyl-(phenylmethyl)amino]-1-oxoethyl]-5-[2-[[4-(carboxymethyl)phenyl]-oxomethoxy]phenyl]phenyl]phenoxy]-oxomethyl]phenyl]acetic acid
IUPAC NAME: 2-[4-[2-[3-[2-[benzyl(tert-butyl)amino]acetyl]-5-[2-[4-(carboxymethyl)benzoyl]oxyphenyl]phenyl]phenoxy]carbonylphenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-[3-[2-[tert-butyl-(phenylmethyl)amino]ethanoyl]-5-[2-[4-(2-hydroxy-2-oxoethyl)phenyl]carbonyloxyphenyl]phenyl]phenoxy]carbonylphenyl]ethanoic acid
MOLECULAR FORMULA: C49H43NO9
MOLECULAR WEIGHT: 789.86702
SMILES: CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)CC(=O)O)C5=CC=CC=C5OC(=O)C6=CC=C(C=C6)CC(=O)O
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Product OPENEYE NAME: [3-[2-(cyclobutylamino)-1-hydroxy-ethyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-[2-(cyclobutylamino)-1-hydroxyethyl]-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester sulfate
IUPAC NAME: [3-[2-(cyclobutylamino)-1-hydroxyethyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
SYSTEMATIC NAME: [3-[2-(cyclobutylamino)-1-oxidanyl-ethyl]-5-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
MOLECULAR FORMULA: C36H41NO13S-2
MOLECULAR WEIGHT: 727.77464
SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC3CCC3)O)OC(=O)C4=CC=C(C=C4)OC(=O)C(C)(C)C.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: [3-[2-(cyclobutylamino)-1-hydroxy-ethyl]-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-(cyclobutylamino)-1-hydroxyethyl]-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-[2-(cyclobutylamino)-1-hydroxyethyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-[2-(cyclobutylamino)-1-oxidanyl-ethyl]-5-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
MOLECULAR FORMULA: C36H41NO9
MOLECULAR WEIGHT: 631.71204
SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC3CCC3)O)OC(=O)C4=CC=C(C=C4)OC(=O)C(C)(C)C
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Product OPENEYE NAME: [3-(2-bromoacetyl)-5-[4-(2-methylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2-methylpropanoyloxy)benzoate
CAS Name: 4-(2-methyl-1-oxopropoxy)benzoic acid [3-(2-bromo-1-oxoethyl)-5-[[4-(2-methyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-(2-bromoacetyl)-5-[4-(2-methylpropanoyloxy)benzoyl]oxyphenyl] 4-(2-methylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-(2-bromanylethanoyl)-5-[4-(2-methylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2-methylpropanoyloxy)benzoate
MOLECULAR FORMULA: C30H27BrO9
MOLECULAR WEIGHT: 611.43398
SMILES: CC(C)C(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(=O)CBr)OC(=O)C3=CC=C(C=C3)OC(=O)C(C)C
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Product OPENEYE NAME: [3-[1-(cyclobutylamino)-1-hydroxy-propyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-[1-(cyclobutylamino)-1-hydroxypropyl]-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester sulfate
IUPAC NAME: [3-[1-(cyclobutylamino)-1-hydroxypropyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
SYSTEMATIC NAME: [3-[1-(cyclobutylamino)-1-oxidanyl-propyl]-5-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate sulfate
MOLECULAR FORMULA: C37H43NO13S-2
MOLECULAR WEIGHT: 741.80122
SMILES: CCC(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)(NC4CCC4)O.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: [3-[1-(cyclobutylamino)-1-hydroxy-propyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzoic acid [3-[1-(cyclobutylamino)-1-hydroxypropyl]-5-[[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-oxomethoxy]phenyl] ester
IUPAC NAME: [3-[1-(cyclobutylamino)-1-hydroxypropyl]-5-[4-(2,2-dimethylpropanoyloxy)benzoyl]oxyphenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
SYSTEMATIC NAME: [3-[1-(cyclobutylamino)-1-oxidanyl-propyl]-5-[4-(2,2-dimethylpropanoyloxy)phenyl]carbonyloxy-phenyl] 4-(2,2-dimethylpropanoyloxy)benzoate
MOLECULAR FORMULA: C37H43NO9
MOLECULAR WEIGHT: 645.73862
SMILES: CCC(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)(NC4CCC4)O
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Product OPENEYE NAME: N-benzyl-1-methyl-cyclobutanamine hydrobromide
CAS Name: 1-methyl-N-(phenylmethyl)-1-cyclobutanamine hydrobromide
IUPAC NAME: N-benzyl-1-methylcyclobutan-1-amine hydrobromide
SYSTEMATIC NAME: 1-methyl-N-(phenylmethyl)cyclobutan-1-amine hydrobromide
MOLECULAR FORMULA: C12H18BrN
MOLECULAR WEIGHT: 256.18202
SMILES: CC1(CCC1)NCC2=CC=CC=C2.Br
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Product OPENEYE NAME: ethyl 4,6-dibromo-6,7,7,7-tetrafluoro-3,3-dimethyl-heptanoate
CAS Name: 4,6-dibromo-6,7,7,7-tetrafluoro-3,3-dimethylheptanoic acid ethyl ester
IUPAC NAME: ethyl 4,6-dibromo-6,7,7,7-tetrafluoro-3,3-dimethylheptanoate
SYSTEMATIC NAME: ethyl 4,6-bis(bromanyl)-6,7,7,7-tetrakis(fluoranyl)-3,3-dimethyl-heptanoate
MOLECULAR FORMULA: C11H16Br2F4O2
MOLECULAR WEIGHT: 416.045153
SMILES: CCOC(=O)CC(C)(C)C(CC(C(F)(F)F)(F)Br)Br
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Product OPENEYE NAME: ethyl (E)-6-bromo-6,7,7,7-tetrafluoro-3,3-dimethyl-hept-4-enoate
CAS Name: (E)-6-bromo-6,7,7,7-tetrafluoro-3,3-dimethyl-4-heptenoic acid ethyl ester
IUPAC NAME: ethyl (E)-6-bromo-6,7,7,7-tetrafluoro-3,3-dimethylhept-4-enoate
SYSTEMATIC NAME: ethyl (E)-6-bromanyl-6,7,7,7-tetrakis(fluoranyl)-3,3-dimethyl-hept-4-enoate
MOLECULAR FORMULA: C11H15BrF4O2
MOLECULAR WEIGHT: 335.133213
SMILES: CCOC(=O)CC(C)(C)/C=C/C(C(F)(F)F)(F)Br
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Product OPENEYE NAME: ethyl 2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropanecarboxylate
CAS Name: 2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]-1-cyclopropanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2,2-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl 2,2-dimethyl-3-[(E)-2,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane-1-carboxylate
MOLECULAR FORMULA: C11H14F4O2
MOLECULAR WEIGHT: 254.221273
SMILES: CCOC(=O)C1C(C1(C)C)/C=C(\C(F)(F)F)/F
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Product OPENEYE NAME: 2-ethyl-1,1-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
CAS Name: 2-ethyl-1,1-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
IUPAC NAME: 2-ethyl-1,1-dimethyl-3-[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
SYSTEMATIC NAME: 2-ethyl-1,1-dimethyl-3-[(E)-2,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane
MOLECULAR FORMULA: C10H14F4
MOLECULAR WEIGHT: 210.211773
SMILES: CCC1C(C1(C)C)/C=C(\C(F)(F)F)/F
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Product OPENEYE NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropanecarboxylate
CAS Name: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-1-cyclopropanecarboxylate
IUPAC NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropane-1-carboxylate
SYSTEMATIC NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane-1-carboxylate
MOLECULAR FORMULA: C9H9F4O2-
MOLECULAR WEIGHT: 225.160173
SMILES: CC1(C(C1C(=O)[O-])/C(=C/C(F)(F)F)/F)C
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