Monday, May 20, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C22H27N3O3
MOLECULAR WEIGHT: 381.46808
SMILES: CC1=NN(C2=NC=C(C=C12)C(=O)O[C@H](C)C(=O)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: [(1S)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C22H27N3O3
MOLECULAR WEIGHT: 381.46808
SMILES: CC1=NN(C2=NC=C(C=C12)C(=O)O[C@@H](C)C(=O)C34CC5CC(C3)CC(C5)C4)C
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Product OPENEYE NAME: (3-methylquinoxalin-2-yl)methyl 3-(4-acetylphenoxy)propanoate
CAS Name: 3-(4-acetylphenoxy)propanoic acid (3-methyl-2-quinoxalinyl)methyl ester
IUPAC NAME: (3-methylquinoxalin-2-yl)methyl 3-(4-acetylphenoxy)propanoate
SYSTEMATIC NAME: (3-methylquinoxalin-2-yl)methyl 3-(4-ethanoylphenoxy)propanoate
MOLECULAR FORMULA: C21H20N2O4
MOLECULAR WEIGHT: 364.3945
SMILES: CC1=NC2=CC=CC=C2N=C1COC(=O)CCOC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: (4-cyano-2-fluoro-phenyl)methyl 3-(4-acetylphenoxy)propanoate
CAS Name: 3-(4-acetylphenoxy)propanoic acid (4-cyano-2-fluorophenyl)methyl ester
IUPAC NAME: (4-cyano-2-fluorophenyl)methyl 3-(4-acetylphenoxy)propanoate
SYSTEMATIC NAME: (4-cyano-2-fluoranyl-phenyl)methyl 3-(4-ethanoylphenoxy)propanoate
MOLECULAR FORMULA: C19H16FNO4
MOLECULAR WEIGHT: 341.333043
SMILES: CC(=O)C1=CC=C(C=C1)OCCC(=O)OCC2=C(C=C(C=C2)C#N)F
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Product OPENEYE NAME: [(1R)-2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid [(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C22H22N2O7
MOLECULAR WEIGHT: 426.41928
SMILES: C[C@H](C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=C(O2)CN3C=CC=CC3=O
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Product OPENEYE NAME: [(1S)-2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid [(2S)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C22H22N2O7
MOLECULAR WEIGHT: 426.41928
SMILES: C[C@@H](C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC=C(O2)CN3C=CC=CC3=O
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Product OPENEYE NAME: (3-methylquinoxalin-2-yl)methyl 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester
IUPAC NAME: (3-methylquinoxalin-2-yl)methyl 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: (3-methylquinoxalin-2-yl)methyl 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C21H17N3O4
MOLECULAR WEIGHT: 375.37738
SMILES: CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(O3)CN4C=CC=CC4=O
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Product OPENEYE NAME: [(1R)-1-[(4-fluorophenyl)carbamoyl]propyl] 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid [(2R)-1-(4-fluoroanilino)-1-oxobutan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-fluoroanilino)-1-oxobutan-2-yl] 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C21H19FN2O5
MOLECULAR WEIGHT: 398.384363
SMILES: CC[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(O2)CN3C=CC=CC3=O
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Product OPENEYE NAME: [(1S)-1-[(4-fluorophenyl)carbamoyl]propyl] 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-fluoroanilino)-1-oxobutan-2-yl] 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C21H19FN2O5
MOLECULAR WEIGHT: 398.384363
SMILES: CC[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(O2)CN3C=CC=CC3=O
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C21H15N3O4
MOLECULAR WEIGHT: 373.3615
SMILES: C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC=C(O3)CN4C=CC=CC4=O)C#N
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Product OPENEYE NAME: 8-[[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one
CAS Name: 8-[[[(3R)-1,1-dioxo-3-thiolanyl]-(phenylmethyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 8-[[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 8-[[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C24H27NO5S
MOLECULAR WEIGHT: 441.53988
SMILES: CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(CC3=CC=CC=C3)[C@@H]4CCS(=O)(=O)C4)O
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Product OPENEYE NAME: 8-[[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one
CAS Name: 8-[[[(3S)-1,1-dioxo-3-thiolanyl]-(phenylmethyl)amino]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one
IUPAC NAME: 8-[[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 8-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-(phenylmethyl)amino]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C24H27NO5S
MOLECULAR WEIGHT: 441.53988
SMILES: CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN(CC3=CC=CC=C3)[C@H]4CCS(=O)(=O)C4)O
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Product OPENEYE NAME: N-[3-(p-tolylcarbamoylamino)phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[[(4-methylanilino)-oxomethyl]amino]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[(4-methylphenyl)carbamoylamino]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[(4-methylphenyl)carbamoylamino]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C19H17N3O2S
MOLECULAR WEIGHT: 351.42218
SMILES: CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-[3-[(5-methylisoxazol-3-yl)carbamoylamino]phenyl]thiophene-2-carboxamide
CAS Name: N-[3-[[[(5-methyl-3-isoxazolyl)amino]-oxomethyl]amino]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C16H14N4O3S
MOLECULAR WEIGHT: 342.37236
SMILES: CC1=CC(=NO1)NC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(2-methoxycarbonyl-3-furyl)methyl]ammonium
CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(2-methoxycarbonyl-3-furanyl)methyl]ammonium
IUPAC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(2-methoxycarbonylfuran-3-yl)methyl]azanium
SYSTEMATIC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(2-methoxycarbonylfuran-3-yl)methyl]azanium
MOLECULAR FORMULA: C19H24NO5+
MOLECULAR WEIGHT: 346.39756
SMILES: CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]CC3=C(OC=C3)C(=O)OC
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Product OPENEYE NAME: methyl 3-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]furan-2-carboxylate
CAS Name: 3-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)NCC3=C(OC=C3)C(=O)OC
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Product OPENEYE NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(2-methoxycarbonyl-3-furyl)methyl]ammonium
CAS Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(2-methoxycarbonyl-3-furanyl)methyl]ammonium
IUPAC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(2-methoxycarbonylfuran-3-yl)methyl]azanium
SYSTEMATIC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(2-methoxycarbonylfuran-3-yl)methyl]azanium
MOLECULAR FORMULA: C19H24NO5+
MOLECULAR WEIGHT: 346.39756
SMILES: CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)[NH2+]CC3=C(OC=C3)C(=O)OC
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Product OPENEYE NAME: methyl 3-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]furan-2-carboxylate
CAS Name: 3-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]-2-furancarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)NCC3=C(OC=C3)C(=O)OC
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Product OPENEYE NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(3-methoxycarbonyl-2-furyl)methyl]ammonium
CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(3-methoxycarbonyl-2-furanyl)methyl]ammonium
IUPAC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-[(3-methoxycarbonylfuran-2-yl)methyl]azanium
SYSTEMATIC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-[(3-methoxycarbonylfuran-2-yl)methyl]azanium
MOLECULAR FORMULA: C19H24NO5+
MOLECULAR WEIGHT: 346.39756
SMILES: CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]CC3=C(C=CO3)C(=O)OC
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