Wednesday, October 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 5-[(4-benzyloxyphenyl)carbamoylamino]-2-(1-piperidyl)benzoate
CAS Name: 5-[[oxo-(4-phenylmethoxyanilino)methyl]amino]-2-(1-piperidinyl)benzoic acid ethyl ester
IUPAC NAME: ethyl 5-[(4-phenylmethoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzoate
SYSTEMATIC NAME: ethyl 5-[(4-phenylmethoxyphenyl)carbamoylamino]-2-piperidin-1-yl-benzoate
MOLECULAR FORMULA: C28H31N3O4
MOLECULAR WEIGHT: 473.56344
SMILES: CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCCC4
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Product OPENEYE NAME: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid
CAS Name: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarboxylic acid
IUPAC NAME: 4-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C13H10F3N3O2S
MOLECULAR WEIGHT: 329.29761
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC=C(C(=N2)N)C(=O)O
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Product OPENEYE NAME: ethyl 5-(1,3-dioxoisoindolin-2-yl)-2-(1-piperidyl)benzoate
CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-(1-piperidinyl)benzoic acid ethyl ester
IUPAC NAME: ethyl 5-(1,3-dioxoisoindol-2-yl)-2-piperidin-1-ylbenzoate
SYSTEMATIC NAME: ethyl 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-piperidin-1-yl-benzoate
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O)N4CCCCC4
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Product OPENEYE NAME: N-(3-bromo-5-methyl-2-pyridyl)-4-pentyl-benzenesulfonamide
CAS Name: N-(3-bromo-5-methyl-2-pyridinyl)-4-pentylbenzenesulfonamide
IUPAC NAME: N-(3-bromo-5-methylpyridin-2-yl)-4-pentylbenzenesulfonamide
SYSTEMATIC NAME: N-(3-bromanyl-5-methyl-pyridin-2-yl)-4-pentyl-benzenesulfonamide
MOLECULAR FORMULA: C17H21BrN2O2S
MOLECULAR WEIGHT: 397.32984
SMILES: CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=N2)C)Br
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Product OPENEYE NAME: 2-[(3-bromo-5-methyl-2-pyridyl)carbamoyl]benzoic acid
CAS Name: 2-[[(3-bromo-5-methyl-2-pyridinyl)amino]-oxomethyl]benzoic acid
IUPAC NAME: 2-[(3-bromo-5-methylpyridin-2-yl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(3-bromanyl-5-methyl-pyridin-2-yl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C14H11BrN2O3
MOLECULAR WEIGHT: 335.15274
SMILES: CC1=CC(=C(N=C1)NC(=O)C2=CC=CC=C2C(=O)O)Br
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Product OPENEYE NAME: 2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4,5-dimethoxy-benzoic acid
CAS Name: 2-[[2-(carboxymethylthio)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid
IUPAC NAME: 2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4,5-dimethoxybenzoic acid
SYSTEMATIC NAME: 2-[2-(2-hydroxy-2-oxoethylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoic acid
MOLECULAR FORMULA: C13H15NO7S
MOLECULAR WEIGHT: 329.3257
SMILES: COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSCC(=O)O)OC
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Product OPENEYE NAME: 2-[2-oxo-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]ethyl]sulfanylacetic acid
CAS Name: 2-[[2-oxo-2-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid
IUPAC NAME: 2-[2-oxo-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]ethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C14H17F3N4O3S
MOLECULAR WEIGHT: 378.36999
SMILES: C1CN(CCN(C1)C(=O)CSCC(=O)O)C2=NC=CC(=N2)C(F)(F)F
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Product OPENEYE NAME: 2-[2-[3-ethoxycarbonyl-4-(1-piperidyl)anilino]-2-oxo-ethyl]sulfanylacetic acid
CAS Name: 2-[[2-[3-ethoxycarbonyl-4-(1-piperidinyl)anilino]-2-oxoethyl]thio]acetic acid
IUPAC NAME: 2-[2-(3-ethoxycarbonyl-4-piperidin-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-[(3-ethoxycarbonyl-4-piperidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid
MOLECULAR FORMULA: C18H24N2O5S
MOLECULAR WEIGHT: 380.45856
SMILES: CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSCC(=O)O)N2CCCCC2
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Product OPENEYE NAME: ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
CAS Name: 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-6-chloranyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H17ClN2O5
MOLECULAR WEIGHT: 364.78028
SMILES: CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Cl)N
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Product OPENEYE NAME: ethyl 2-amino-8-bromo-6-chloro-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
CAS Name: 2-amino-8-bromo-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-8-bromo-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-8-bromanyl-6-chloranyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H16BrClN2O5
MOLECULAR WEIGHT: 443.67634
SMILES: CCOC(=O)C1=C(OC2=C(C=C(C=C2C1C(C#N)C(=O)OCC)Cl)Br)N
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Product OPENEYE NAME: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-8-methoxy-4H-chromene-3-carboxylate
CAS Name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-8-methoxy-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-8-methoxy-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-6-bromanyl-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-8-methoxy-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H19BrN2O6
MOLECULAR WEIGHT: 439.25726
SMILES: CCOC(=O)C1=C(OC2=C(C=C(C=C2C1C(C#N)C(=O)OCC)Br)OC)N
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Product OPENEYE NAME: ethyl 2-amino-6,8-dichloro-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate
CAS Name: 2-amino-6,8-dichloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-6,8-dichloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-6,8-bis(chloranyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H16Cl2N2O5
MOLECULAR WEIGHT: 399.22534
SMILES: CCOC(=O)C1=C(OC2=C(C=C(C=C2C1C(C#N)C(=O)OCC)Cl)Cl)N
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