Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C22H29N3O2
MOLECULAR WEIGHT: 367.48456
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=CC=C2C(C)C)C
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Product OPENEYE NAME: [(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCO2)C
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Product OPENEYE NAME: ethyl 2-(2-furylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(furan-2-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H18N2O3S2
MOLECULAR WEIGHT: 350.45572
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=CO3
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Product OPENEYE NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C25H29NO5
MOLECULAR WEIGHT: 423.50146
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@@H](C)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: ethyl 2-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H22N2O3S2
MOLECULAR WEIGHT: 354.48748
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC[C@@H]3CCCO3
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Product OPENEYE NAME: [2-(4-chloroanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C18H21ClN3O2+
MOLECULAR WEIGHT: 346.83124
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[[2-(4-chloroanilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H20ClN3O2
MOLECULAR WEIGHT: 345.8233
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)[C@@H]2CCCO2)C
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Product OPENEYE NAME: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C23H22N2O5
MOLECULAR WEIGHT: 406.43118
SMILES: C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=CC=C3)N4CCCC4=O
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Product OPENEYE NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C25H29NO5
MOLECULAR WEIGHT: 423.50146
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: ethyl 2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C16H22N2O3S2
MOLECULAR WEIGHT: 354.48748
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC[C@H]3CCCO3
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Product OPENEYE NAME: [(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)[C@H]2CCCO2)C
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Product OPENEYE NAME: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CCC[C@@H](C)NC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl]ammonium
CAS Name: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C22H30N3O2+
MOLECULAR WEIGHT: 368.4925
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C
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