Monday, August 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO
MOLECULAR WEIGHT: 271.3972
SMILES: CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O
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Product OPENEYE NAME: [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methanesulfonic acid
CAS Name: [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methanesulfonic acid
IUPAC NAME: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
SYSTEMATIC NAME: [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methanesulfonic acid
MOLECULAR FORMULA: C12H15N3O4S
MOLECULAR WEIGHT: 297.3302
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCS(=O)(=O)O
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Product OPENEYE NAME: 4-octylbenzoic acid
CAS Name: 4-octylbenzoic acid
IUPAC NAME: 4-octylbenzoic acid
SYSTEMATIC NAME: 4-octylbenzoic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 3-(2-furyl)-2-(1-naphthyl)propanoic acid
CAS Name: 3-(2-furanyl)-2-(1-naphthalenyl)propanoic acid
IUPAC NAME: 3-(furan-2-yl)-2-naphthalen-1-ylpropanoic acid
SYSTEMATIC NAME: 3-(furan-2-yl)-2-naphthalen-1-yl-propanoic acid
MOLECULAR FORMULA: C17H14O3
MOLECULAR WEIGHT: 266.29126
SMILES: C1=CC=C2C(=C1)C=CC=C2C(CC3=CC=CO3)C(=O)O
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Product OPENEYE NAME: (6R,7R)-3-(acetoxymethyl)-7-[[(2R)-2-amino-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H19N3O6S
MOLECULAR WEIGHT: 405.42496
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O
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Product OPENEYE NAME: 2-amino-5-sulfo-benzoic acid
CAS Name: 2-amino-5-sulfobenzoic acid
IUPAC NAME: 2-amino-5-sulfobenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-sulfo-benzoic acid
MOLECULAR FORMULA: C7H7NO5S
MOLECULAR WEIGHT: 217.19918
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N
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Product OPENEYE NAME: 3-(diethylamino)propyl 2,2-diphenylacetate
CAS Name: 2,2-diphenylacetic acid 3-(diethylamino)propyl ester
IUPAC NAME: 3-(diethylamino)propyl 2,2-diphenylacetate
SYSTEMATIC NAME: 3-(diethylamino)propyl 2,2-diphenylethanoate
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CCN(CC)CCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[[2-(2-ethylbutoxy)-2,2-diphenyl-acetyl]-methyl-amino]ethyl-dimethyl-ammonium chloride
CAS Name: 2-[[2-(2-ethylbutoxy)-1-oxo-2,2-diphenylethyl]-methylamino]ethyl-dimethylammonium chloride
IUPAC NAME: 2-[[2-(2-ethylbutoxy)-2,2-diphenylacetyl]-methylamino]ethyl-dimethylazanium chloride
SYSTEMATIC NAME: 2-[[2-(2-ethylbutoxy)-2,2-diphenyl-ethanoyl]-methyl-amino]ethyl-dimethyl-azanium chloride
MOLECULAR FORMULA: C25H37ClN2O2
MOLECULAR WEIGHT: 433.02648
SMILES: CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CC[NH+](C)C.[Cl-]
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Product OPENEYE NAME: N-[2-(dimethylamino)ethyl]-2-(2-ethylbutoxy)-N-methyl-2,2-diphenyl-acetamide
CAS Name: N-[2-(dimethylamino)ethyl]-2-(2-ethylbutoxy)-N-methyl-2,2-diphenylacetamide
IUPAC NAME: N-[2-(dimethylamino)ethyl]-2-(2-ethylbutoxy)-N-methyl-2,2-diphenylacetamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-(2-ethylbutoxy)-N-methyl-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C25H36N2O2
MOLECULAR WEIGHT: 396.56554
SMILES: CCC(CC)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N(C)CCN(C)C
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Product OPENEYE NAME: magnesium acetate
CAS Name: magnesium acetate
IUPAC NAME: magnesium acetate
SYSTEMATIC NAME: magnesium ethanoate
MOLECULAR FORMULA: C2H3MgO2+
MOLECULAR WEIGHT: 83.34902
SMILES: CC(=O)[O-].[Mg+2]
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Product OPENEYE NAME: 2-[2-(dimethylamino)ethyl]-2-isopropyl-3-methyl-butanenitrile
CAS Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanenitrile
IUPAC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanenitrile
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-yl-butanenitrile
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: CC(C)C(CCN(C)C)(C#N)C(C)C
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Product OPENEYE NAME: 2-[2-(dimethylamino)ethyl]-2-isopropyl-3-methyl-butanamide
CAS Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanamide
IUPAC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanamide
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-yl-butanamide
MOLECULAR FORMULA: C12H26N2O
MOLECULAR WEIGHT: 214.34764
SMILES: CC(C)C(CCN(C)C)(C(C)C)C(=O)N
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Product OPENEYE NAME: 4-(dimethylamino)-2-(2-naphthyl)butanenitrile
CAS Name: 4-(dimethylamino)-2-(2-naphthalenyl)butanenitrile
IUPAC NAME: 4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile
SYSTEMATIC NAME: 4-(dimethylamino)-2-naphthalen-2-yl-butanenitrile
MOLECULAR FORMULA: C16H18N2
MOLECULAR WEIGHT: 238.32752
SMILES: CN(C)CCC(C#N)C1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(2-naphthyl)butanenitrile
CAS Name: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(2-naphthalenyl)butanenitrile
IUPAC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylbutanenitrile
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-yl-butanenitrile
MOLECULAR FORMULA: C19H24N2
MOLECULAR WEIGHT: 280.40726
SMILES: CC(C)C(CCN(C)C)(C#N)C1=CC2=CC=CC=C2C=C1
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Product OPENEYE NAME: 2,3-bis(chloromethyl)oxirane
CAS Name: 2,3-bis(chloromethyl)oxirane
IUPAC NAME: 2,3-bis(chloromethyl)oxirane
SYSTEMATIC NAME: 2,3-bis(chloromethyl)oxirane
MOLECULAR FORMULA: C4H6Cl2O
MOLECULAR WEIGHT: 140.99584
SMILES: C(C1C(O1)CCl)Cl
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Product OPENEYE NAME: 2-[anilino(phenyl)carbamoyl]hexanoic acid
CAS Name: 2-[(N-anilinoanilino)-oxomethyl]hexanoic acid
IUPAC NAME: 2-[anilino(phenyl)carbamoyl]hexanoic acid
SYSTEMATIC NAME: 2-[phenyl(phenylazanyl)carbamoyl]hexanoic acid
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-(p-tolyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C12H7Cl6N3
MOLECULAR WEIGHT: 405.92208
SMILES: CC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C12H7Cl6N3O
MOLECULAR WEIGHT: 421.92148
SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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