Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H24N3O4+
MOLECULAR WEIGHT: 370.42226
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: methyl 2-[[2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]acetyl]amino]benzoate
CAS Name: 2-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoylamino]benzoate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-oxo-2-(2-phenylanilino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-phenylanilino)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C25H19NO5
MOLECULAR WEIGHT: 413.42206
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4
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Product OPENEYE NAME: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: C[C@@H](C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)N3CCCC3=O
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Product OPENEYE NAME: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H16FNO4
MOLECULAR WEIGHT: 281.279543
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-(4-acetylanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H24N3O3+
MOLECULAR WEIGHT: 354.42286
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C(=O)C
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Product OPENEYE NAME: 2-[[2-(4-acetylanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H23N3O3
MOLECULAR WEIGHT: 353.41492
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C(=O)C
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Product OPENEYE NAME: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H16FNO4
MOLECULAR WEIGHT: 281.279543
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-(4-ethoxyanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C20H26N3O3+
MOLECULAR WEIGHT: 356.43874
SMILES: CCOC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: 2-[[2-(4-ethoxyanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H25N3O3
MOLECULAR WEIGHT: 355.4308
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C18H22N2O4
MOLECULAR WEIGHT: 330.37828
SMILES: C[C@H](C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)N3CCCC3=O
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Product OPENEYE NAME: (5-acetyl-2-ethoxy-phenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester
IUPAC NAME: (5-acetyl-2-ethoxyphenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (5-ethanoyl-2-ethoxy-phenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H20O6
MOLECULAR WEIGHT: 380.3906
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H16FNO4
MOLECULAR WEIGHT: 281.279543
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H16FNO4
MOLECULAR WEIGHT: 281.279543
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-(4-cyanoanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H21N4O2+
MOLECULAR WEIGHT: 337.39564
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: 2-[[2-(4-cyanoanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H20N4O2
MOLECULAR WEIGHT: 336.3877
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: [2-(diisopropylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[di(propan-2-yl)amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N(C(C)C)C(C)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-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-[[2-(dimethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C17H21N3O5
MOLECULAR WEIGHT: 347.36574
SMILES: CN(C)C(=O)CNC(=O)COC(=O)C1=CC(=CC=C1)N2CCCC2=O
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Product OPENEYE NAME: [2-(2-fluoroanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2-fluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2-fluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C18H21FN3O2+
MOLECULAR WEIGHT: 330.376643
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2F
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Product OPENEYE NAME: 2-[[2-(2-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H20FN3O2
MOLECULAR WEIGHT: 329.368703
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=CC=C2F
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