Tuesday, May 14, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl 6-chloro-2H-chromene-3-carboxylate
CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl 6-chloro-2H-chromene-3-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl 6-chloranyl-2H-chromene-3-carboxylate
MOLECULAR FORMULA: C17H13ClO6
MOLECULAR WEIGHT: 348.73452
SMILES: COC(=O)C1=C(OC=C1)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2
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Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl (2R,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate
CAS Name: (2R,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2R,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2R,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: C[C@H]1[C@H](OC2=C(C=CC=C12)C(=O)OCC3=C(C=CO3)C(=O)OC)C
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Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl (2R,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate
CAS Name: (2R,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: C[C@@H]1[C@H](OC2=C(C=CC=C12)C(=O)OCC3=C(C=CO3)C(=O)OC)C
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Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl (2S,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate
CAS Name: (2S,3R)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2S,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2S,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: C[C@H]1[C@@H](OC2=C(C=CC=C12)C(=O)OCC3=C(C=CO3)C(=O)OC)C
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Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl (2S,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate
CAS Name: (2S,3S)-2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: C[C@@H]1[C@@H](OC2=C(C=CC=C12)C(=O)OCC3=C(C=CO3)C(=O)OC)C
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Product OPENEYE NAME: methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[[5-(2-fluorophenyl)-2-furanyl]-oxomethoxy]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[5-(2-fluorophenyl)furan-2-yl]carbonyloxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C18H13FO6
MOLECULAR WEIGHT: 344.290623
SMILES: COC(=O)C1=C(OC=C1)COC(=O)C2=CC=C(O2)C3=CC=CC=C3F
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Product OPENEYE NAME: methyl 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]furan-3-carboxylate
CAS Name: 2-[(4-benzamido-1-piperidin-1-iumyl)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-benzamidopiperidin-1-ium-1-yl)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C19H23N2O4+
MOLECULAR WEIGHT: 343.39692
SMILES: COC(=O)C1=C(OC=C1)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(4-chloroanilino)-2-oxo-ethyl]-[(3-methoxycarbonyl-2-furyl)methyl]-methyl-ammonium
CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-[(3-methoxycarbonyl-2-furanyl)methyl]-methylammonium
IUPAC NAME: [2-(4-chloroanilino)-2-oxoethyl]-[(3-methoxycarbonylfuran-2-yl)methyl]-methylazanium
SYSTEMATIC NAME: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxycarbonylfuran-2-yl)methyl]-methyl-azanium
MOLECULAR FORMULA: C16H18ClN2O4+
MOLECULAR WEIGHT: 337.77812
SMILES: C[NH+](CC1=C(C=CO1)C(=O)OC)CC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate
CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C15H18BrN2O5S2+
MOLECULAR WEIGHT: 450.34782
SMILES: COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br
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Product OPENEYE NAME: methyl 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]furan-3-carboxylate
CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C15H17BrN2O5S2
MOLECULAR WEIGHT: 449.33988
SMILES: COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br
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Product OPENEYE NAME: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate
CAS Name: 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C18H20NO3+
MOLECULAR WEIGHT: 298.3563
SMILES: COC(=O)C1=C(OC=C1)C[NH+]2CCC(=CC2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate
CAS Name: 2-[[4-(2,5-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C17H19Cl2N2O5S+
MOLECULAR WEIGHT: 434.31416
SMILES: COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: methyl 2-[[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate
CAS Name: 2-[[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]methyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate
MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CC1=CC(=NO1)NC(=O)CN2CCN(CC2)CC3=C(C=CO3)C(=O)OC
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Product OPENEYE NAME: methyl 2-[[(2R)-2-(furan-2-carbonylamino)propanoyl]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(2R)-2-[[2-furanyl(oxo)methyl]amino]-1-oxopropoxy]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(2R)-2-(furan-2-carbonylamino)propanoyl]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(2R)-2-(furan-2-ylcarbonylamino)propanoyl]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C15H15NO7
MOLECULAR WEIGHT: 321.2821
SMILES: C[C@H](C(=O)OCC1=C(C=CO1)C(=O)OC)NC(=O)C2=CC=CO2
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Product OPENEYE NAME: (3-methoxycarbonyl-2-furyl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate
CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester
IUPAC NAME: (3-methoxycarbonylfuran-2-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: (3-methoxycarbonylfuran-2-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C25H23N3O7
MOLECULAR WEIGHT: 477.46602
SMILES: CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)OCC5=C(C=CO5)C(=O)OC
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCC[C@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C20H24N2O3
MOLECULAR WEIGHT: 340.41616
SMILES: CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CN=C(C=C2)C
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Product OPENEYE NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]-[[(2S)-2-oxolanyl]methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O6S
MOLECULAR WEIGHT: 396.45796
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate
CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[[(3R)-1,1-dioxo-3-thiolanyl]-[[(2R)-2-oxolanyl]methyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3R)-1,1-dioxothiolan-3-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SYSTEMATIC NAME: [2-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O6S
MOLECULAR WEIGHT: 396.45796
SMILES: CC1=NC=C(C=C1)C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]3CCS(=O)(=O)C3
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