Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H25N3O4
MOLECULAR WEIGHT: 347.4088
SMILES: CN(C)C(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(4-chlorophenyl)-3-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H13ClN4OS
MOLECULAR WEIGHT: 344.81862
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NC3=CC=C(C=C3)Cl)/C1=O
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Product OPENEYE NAME: [2-(cyclopropylamino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopropylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C15H15NO4
MOLECULAR WEIGHT: 273.2839
SMILES: C1CC1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C21H23N3O4
MOLECULAR WEIGHT: 381.42502
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)COC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C14H26N3O4+
MOLECULAR WEIGHT: 300.37394
SMILES: CC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C14H25N3O4
MOLECULAR WEIGHT: 299.366
SMILES: CC[C@@H](C)NC(=O)NC(=O)CN1CCC(CC1)C(=O)OC
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-(4-fluorophenyl)-3-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C16H13FN4OS
MOLECULAR WEIGHT: 328.364023
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NC3=CC=C(C=C3)F)/C1=O
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Product OPENEYE NAME: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,5-dimethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C14H26N3O4+
MOLECULAR WEIGHT: 300.37394
SMILES: CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C14H25N3O4
MOLECULAR WEIGHT: 299.366
SMILES: CC[C@H](C)NC(=O)NC(=O)CN1CCC(CC1)C(=O)OC
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Product OPENEYE NAME: 1-benzyl-3-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thiourea
CAS Name: 1-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]-3-(phenylmethyl)thiourea
IUPAC NAME: 1-benzyl-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C17H16N4OS
MOLECULAR WEIGHT: 324.40014
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC=CC=C3)/C1=O
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C21H23N3O4
MOLECULAR WEIGHT: 381.42502
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)COC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: methyl 1-[2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23FN3O4+
MOLECULAR WEIGHT: 352.380623
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: methyl 1-[2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22FN3O4
MOLECULAR WEIGHT: 351.372683
SMILES: COC(=O)C1CCN(CC1)CC(=O)NCC(=O)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 1-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]-3-(2-phenylethyl)thiourea
CAS Name: 1-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]-3-(2-phenylethyl)thiourea
IUPAC NAME: 1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]-3-(2-phenylethyl)thiourea
SYSTEMATIC NAME: 1-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]-3-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C18H18N4OS
MOLECULAR WEIGHT: 338.42672
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NCCC3=CC=CC=C3)/C1=O
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Product OPENEYE NAME: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,6-diethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H30N3O4+
MOLECULAR WEIGHT: 376.4699
SMILES: CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29N3O4
MOLECULAR WEIGHT: 375.46196
SMILES: CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)COC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO4
MOLECULAR WEIGHT: 349.37986
SMILES: C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)COC2=CC3=CC=CC=C3C=C2
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