Wednesday, November 30, 2011

All Chemical Compounds Information



Product OPENEYE NAME: ethyl 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C21H18F3NO3S
MOLECULAR WEIGHT: 421.43273
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)OC)N
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Product OPENEYE NAME: ethyl 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
CAS Name: 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-amino-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-(4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H15F3N2O4S
MOLECULAR WEIGHT: 436.40431
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)[N+](=O)[O-])N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H34N2O4
MOLECULAR WEIGHT: 486.60196
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)/C=C/CC7=CC=CC=C7)OC5=C(C=C4)O)O
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Product OPENEYE NAME: ethyl 4-[2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CAS Name: 4-[[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)amino]-6-(trifluoromethyl)pyridin-3-yl]carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C21H22ClF3N4O3
MOLECULAR WEIGHT: 470.87259
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=C(C=CC(=C3)Cl)C
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C8H17NO4
MOLECULAR WEIGHT: 191.22488
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCO)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-methoxyethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C9H19NO4
MOLECULAR WEIGHT: 205.25146
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCOC)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methyl-piperidine-3,4,5-triol
CAS Name: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methylpiperidine-3,4,5-triol
IUPAC NAME: (2R,3R,4R,5S)-1-(2-aminoethyl)-2-methylpiperidine-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5S)-1-(2-azanylethyl)-2-methyl-piperidine-3,4,5-triol
MOLECULAR FORMULA: C8H18N2O3
MOLECULAR WEIGHT: 190.24012
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCN)O)O)O
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Product OPENEYE NAME: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methyl-1-piperidyl]ethyl]acetamide
CAS Name: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]ethyl]acetamide
IUPAC NAME: N-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[(2R,3R,4R,5S)-2-methyl-3,4,5-tris(oxidanyl)piperidin-1-yl]ethyl]ethanamide
MOLECULAR FORMULA: C10H20N2O4
MOLECULAR WEIGHT: 232.2768
SMILES: C[C@@H]1[C@H]([C@@H]([C@H](CN1CCNC(=O)C)O)O)O
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Product OPENEYE NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoate
CAS Name: sodium (2R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoate
IUPAC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoate
SYSTEMATIC NAME: sodium (2R)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoate
MOLECULAR FORMULA: C21H35NaO13
MOLECULAR WEIGHT: 518.48457
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](C)C(=O)[O-])O)O)O)O.[Na+]
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Product OPENEYE NAME: (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxycyclohexoxy]tetrahydropyran-4-yl]oxypropanoic acid
CAS Name: (2R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]cyclohexyl]oxy-4-oxanyl]oxy]propanoic acid
IUPAC NAME: (2R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxypropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxypropanoic acid
MOLECULAR FORMULA: C21H36O13
MOLECULAR WEIGHT: 496.50274
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H](C)C(=O)O)O)O)O)O
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