Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 4-fluoro-3-[[(2S)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
CAS Name: 3-[[(2S)-2-[[anilino(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[(2S)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[(2S)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
MOLECULAR FORMULA: C20H22FN3O4
MOLECULAR WEIGHT: 387.404783
SMILES: CC(C)[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: methyl 4-fluoro-3-[[(2R)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
CAS Name: 3-[[(2R)-2-[[anilino(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[(2R)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[(2R)-3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]benzoate
MOLECULAR FORMULA: C20H22FN3O4
MOLECULAR WEIGHT: 387.404783
SMILES: CC(C)[C@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: methyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]amino]-4-fluoro-benzoate
CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]amino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C21H20FNO6
MOLECULAR WEIGHT: 401.385003
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3
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Product OPENEYE NAME: methyl 3-[[(2R)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-fluoro-benzoate
CAS Name: 3-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[(2R)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[[(2R)-2-(1-adamantylcarbonylamino)propanoyl]amino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C22H27FN2O4
MOLECULAR WEIGHT: 402.459183
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-fluoro-benzoate
CAS Name: 3-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C22H27FN2O4
MOLECULAR WEIGHT: 402.459183
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: methyl 3-[(2-cyclopropylquinoline-4-carbonyl)amino]-4-fluoro-benzoate
CAS Name: 3-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[(2-cyclopropylquinoline-4-carbonyl)amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[(2-cyclopropylquinolin-4-yl)carbonylamino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C21H17FN2O3
MOLECULAR WEIGHT: 364.369683
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4
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Product OPENEYE NAME: 2-ethyl-4,5-dimethyl-N-[(1R)-1-methylbutyl]thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-ethyl-4,5-dimethyl-N-[(2R)-pentan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-ethyl-4,5-dimethyl-N-[(2R)-pentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-ethyl-4,5-dimethyl-N-[(2R)-pentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C16H23N3OS
MOLECULAR WEIGHT: 305.43832
SMILES: CCC[C@@H](C)NC(=O)C1=C(C2=C(N=C(N=C2S1)CC)C)C
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Product OPENEYE NAME: 2-ethyl-4,5-dimethyl-N-[(1S)-1-methylbutyl]thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: 2-ethyl-4,5-dimethyl-N-[(2S)-pentan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: 2-ethyl-4,5-dimethyl-N-[(2S)-pentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 2-ethyl-4,5-dimethyl-N-[(2S)-pentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C16H23N3OS
MOLECULAR WEIGHT: 305.43832
SMILES: CCC[C@H](C)NC(=O)C1=C(C2=C(N=C(N=C2S1)CC)C)C
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Product OPENEYE NAME: methyl 4-fluoro-3-[[2-[2-(furan-2-carbonylamino)thiazol-4-yl]acetyl]amino]benzoate
CAS Name: 4-fluoro-3-[[2-[2-[[2-furanyl(oxo)methyl]amino]-4-thiazolyl]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[2-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[2-[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoylamino]benzoate
MOLECULAR FORMULA: C18H14FN3O5S
MOLECULAR WEIGHT: 403.384263
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: methyl 4-fluoro-3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate
CAS Name: 4-fluoro-3-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[3-(4-oxocinnolin-1-yl)propanoylamino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]benzoate
MOLECULAR FORMULA: C19H16FN3O4
MOLECULAR WEIGHT: 369.346443
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2
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Product OPENEYE NAME: methyl 3-[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-fluoro-benzoate
CAS Name: 3-[[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C17H18FN3O4
MOLECULAR WEIGHT: 347.340923
SMILES: CC1=C(C(=O)N=C(N1)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F
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Product OPENEYE NAME: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carbonyl]amino]-4-fluoro-benzoate
CAS Name: 3-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C19H21FN2O4S
MOLECULAR WEIGHT: 392.444443
SMILES: CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F
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Product OPENEYE NAME: methyl 4-fluoro-3-[3-(2-nitroanilino)propanoylamino]benzoate
CAS Name: 4-fluoro-3-[[3-(2-nitroanilino)-1-oxopropyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[3-(2-nitroanilino)propanoylamino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[3-[(2-nitrophenyl)amino]propanoylamino]benzoate
MOLECULAR FORMULA: C17H16FN3O5
MOLECULAR WEIGHT: 361.324443
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: N-(4-ureidophenyl)cyclopentanecarboxamide
CAS Name: N-[4-(carbamoylamino)phenyl]cyclopentanecarboxamide
IUPAC NAME: N-[4-(carbamoylamino)phenyl]cyclopentanecarboxamide
SYSTEMATIC NAME: N-[4-(aminocarbonylamino)phenyl]cyclopentanecarboxamide
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: C1CCC(C1)C(=O)NC2=CC=C(C=C2)NC(=O)N
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-N-(4-ureidophenyl)acetamide
CAS Name: N-[4-(carbamoylamino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
IUPAC NAME: N-[4-(carbamoylamino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
SYSTEMATIC NAME: N-[4-(aminocarbonylamino)phenyl]-2-(3,4-dimethoxyphenyl)ethanamide
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)NC(=O)N)OC
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Product OPENEYE NAME: 5-acetyl-N-(1,1-dimethylpropyl)thiophene-2-carboxamide
CAS Name: 5-acetyl-N-(2-methylbutan-2-yl)-2-thiophenecarboxamide
IUPAC NAME: 5-acetyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
SYSTEMATIC NAME: 5-ethanoyl-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: CCC(C)(C)NC(=O)C1=CC=C(S1)C(=O)C
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