Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2-acetylanilino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(2-acetylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-acetylanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H17NO6
MOLECULAR WEIGHT: 379.36278
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H18N2O6S
MOLECULAR WEIGHT: 342.36752
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1S)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: C[C@@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC(=CC=C2)N3CCCC3=O
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Product OPENEYE NAME: [2-(4-acetamidoanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-acetamidoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H25N4O3+
MOLECULAR WEIGHT: 369.4375
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME: 2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H24N4O3
MOLECULAR WEIGHT: 368.42956
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester
IUPAC NAME: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H19NO6
MOLECULAR WEIGHT: 393.38936
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H18N2O6S
MOLECULAR WEIGHT: 342.36752
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H23N4O5+
MOLECULAR WEIGHT: 387.40972
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H22N4O5
MOLECULAR WEIGHT: 386.40178
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
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Product OPENEYE NAME: [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1R)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: C[C@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC(=CC=C2)N3CCCC3=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H18N2O6S
MOLECULAR WEIGHT: 342.36752
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-oxo-2-(2-thienylmethylamino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester
IUPAC NAME: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H15NO5S
MOLECULAR WEIGHT: 357.3804
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCC3=CC=CS3
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Product OPENEYE NAME: 1-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-3-methyl-thiourea
CAS Name: 1-[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]amino]-3-methylthiourea
IUPAC NAME: 1-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-3-methylthiourea
SYSTEMATIC NAME: 1-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]-3-methyl-thiourea
MOLECULAR FORMULA: C16H16ClN3O2S
MOLECULAR WEIGHT: 349.83514
SMILES: CNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C18H21BrN3O2+
MOLECULAR WEIGHT: 391.28224
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: 2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H20BrN3O2
MOLECULAR WEIGHT: 390.2743
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2Br
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Product OPENEYE NAME: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=CC=C2)N3CCCC3=O)C
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Product OPENEYE NAME: 1-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-3-(2-methylallyl)thiourea
CAS Name: 1-[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]amino]-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-[[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylamino]-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C19H20ClN3O2S
MOLECULAR WEIGHT: 389.899
SMILES: CC(=C)CNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC
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