Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CAS Name: 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
IUPAC NAME: 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C14H12F3NO
MOLECULAR WEIGHT: 267.24639
SMILES: CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N
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Product OPENEYE NAME: methyl 4-octadecoxybenzoate
CAS Name: 4-octadecoxybenzoic acid methyl ester
IUPAC NAME: methyl 4-octadecoxybenzoate
SYSTEMATIC NAME: methyl 4-octadecoxybenzoate
MOLECULAR FORMULA: C26H44O3
MOLECULAR WEIGHT: 404.62576
SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC
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Product OPENEYE NAME: 5-[4-(dimethylamino)phenyl]furan-2-carboxylic acid
CAS Name: 5-[4-(dimethylamino)phenyl]-2-furancarboxylic acid
IUPAC NAME: 5-[4-(dimethylamino)phenyl]furan-2-carboxylic acid
SYSTEMATIC NAME: 5-[4-(dimethylamino)phenyl]furan-2-carboxylic acid
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CN(C)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: 5-(3-formylphenyl)furan-2-carboxylic acid
CAS Name: 5-(3-formylphenyl)-2-furancarboxylic acid
IUPAC NAME: 5-(3-formylphenyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(3-methanoylphenyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C12H8O4
MOLECULAR WEIGHT: 216.18952
SMILES: C1=CC(=CC(=C1)C=O)C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: 5-(4-methoxycarbonylphenyl)furan-2-carboxylic acid
CAS Name: 5-(4-methoxycarbonylphenyl)-2-furancarboxylic acid
IUPAC NAME: 5-(4-methoxycarbonylphenyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(4-methoxycarbonylphenyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C13H10O5
MOLECULAR WEIGHT: 246.2155
SMILES: COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: 5-(3-methoxycarbonylphenyl)furan-2-carboxylic acid
CAS Name: 5-(3-methoxycarbonylphenyl)-2-furancarboxylic acid
IUPAC NAME: 5-(3-methoxycarbonylphenyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(3-methoxycarbonylphenyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C13H10O5
MOLECULAR WEIGHT: 246.2155
SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: 5-(2,3-dihydrobenzofuran-5-yl)furan-2-carboxylic acid
CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-2-furancarboxylic acid
IUPAC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(2,3-dihydro-1-benzofuran-5-yl)furan-2-carboxylic acid
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: C1COC2=C1C=C(C=C2)C3=CC=C(O3)C(=O)O
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Product OPENEYE NAME: 5-(3-thienyl)furan-2-carboxylic acid
CAS Name: 5-(3-thiophenyl)-2-furancarboxylic acid
IUPAC NAME: 5-thiophen-3-ylfuran-2-carboxylic acid
SYSTEMATIC NAME: 5-thiophen-3-ylfuran-2-carboxylic acid
MOLECULAR FORMULA: C9H6O3S
MOLECULAR WEIGHT: 194.20714
SMILES: C1=CSC=C1C2=CC=C(O2)C(=O)O
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Product OPENEYE NAME: methyl 2-(4-oxo-6-phenyl-thieno[2,3-d]triazin-3-yl)butanoate
CAS Name: 2-(4-oxo-6-phenyl-3-thieno[2,3-d]triazinyl)butanoic acid methyl ester
IUPAC NAME: methyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)butanoate
SYSTEMATIC NAME: methyl 2-(4-oxidanylidene-6-phenyl-thieno[2,3-d][1,2,3]triazin-3-yl)butanoate
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CCC(C(=O)OC)N1C(=O)C2=C(N=N1)SC(=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: 6-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C23H21BrN4O2
MOLECULAR WEIGHT: 465.34244
SMILES: CC1=CC(=C(C=C1C2C(=C(OC3=NNC(=C23)C)N)C#N)COC4=CC=CC=C4Br)C
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Product OPENEYE NAME: [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] furan-2-carboxylate
CAS Name: 2-furancarboxylic acid [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] ester
IUPAC NAME: [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] furan-2-carboxylate
SYSTEMATIC NAME: [2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl] furan-2-carboxylate
MOLECULAR FORMULA: C19H15NO5
MOLECULAR WEIGHT: 337.3261
SMILES: C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CO4
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Product OPENEYE NAME: N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CAS Name: N-[3-[(4-chloroanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(5-ethyl-2-thiophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: N-[3-[(4-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C29H23ClF3N5O2S2
MOLECULAR WEIGHT: 630.10343
SMILES: CCC1=CC=C(S1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)NC6=CC=C(C=C6)Cl
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Product OPENEYE NAME: methyl 2-[(6-chloro-2-oxo-chromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
CAS Name: 2-[[(6-chloro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4-(4-cyclohexylphenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(6-chloranyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-4-(4-cyclohexylphenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C28H24ClNO5S
MOLECULAR WEIGHT: 522.01186
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4=CC5=C(C=CC(=C5)Cl)OC4=O
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Product OPENEYE NAME: 2-methoxy-2,2-diphenyl-N-(p-tolylmethyl)acetamide
CAS Name: 2-methoxy-N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
IUPAC NAME: 2-methoxy-N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
SYSTEMATIC NAME: 2-methoxy-N-[(4-methylphenyl)methyl]-2,2-diphenyl-ethanamide
MOLECULAR FORMULA: C23H23NO2
MOLECULAR WEIGHT: 345.43422
SMILES: CC1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
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Product OPENEYE NAME: N-[4-(morpholine-4-carbonyl)phenyl]-4-propoxy-benzamide
CAS Name: N-[4-[4-morpholinyl(oxo)methyl]phenyl]-4-propoxybenzamide
IUPAC NAME: N-[4-(morpholine-4-carbonyl)phenyl]-4-propoxybenzamide
SYSTEMATIC NAME: N-(4-morpholin-4-ylcarbonylphenyl)-4-propoxy-benzamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCOCC3
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Product OPENEYE NAME: N-(5-chloro-2-methoxy-phenyl)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enamide
CAS Name: N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(1-methyl-2-pyrrolyl)-2-propenamide
IUPAC NAME: N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-cyano-3-(1-methylpyrrol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C16H14ClN3O2
MOLECULAR WEIGHT: 315.75426
SMILES: CN1C=CC=C1C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)OC
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Product OPENEYE NAME: 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-chloro-2-methoxy-phenyl)acetamide
CAS Name: 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
IUPAC NAME: 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-[(3,4-dichlorophenyl)methyl-(phenylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C22H19Cl3N2O4S
MOLECULAR WEIGHT: 513.82126
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)CN(CC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: butyl 2-[(2-methyl-3-nitro-benzoyl)amino]benzothiophene-3-carboxylate
CAS Name: 2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester
IUPAC NAME: butyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: butyl 2-[(2-methyl-3-nitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C21H20N2O5S
MOLECULAR WEIGHT: 412.4589
SMILES: CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C
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