Thursday, March 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22N2O5
MOLECULAR WEIGHT: 334.36698
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(4-fluorophenyl)thiourea
CAS Name: 1-(4-fluorophenyl)-3-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C18H15FN4OS
MOLECULAR WEIGHT: 354.401303
SMILES: C=CCN1C2=CC=CC=C2/C(=N/NC(=S)NC3=CC=C(C=C3)F)/C1=O
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Product OPENEYE NAME: ethyl 4-[2-(2H-chromene-3-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[2-[2H-1-benzopyran-3-yl(oxo)methoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-(2H-chromene-3-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-(2H-chromen-3-ylcarbonyloxy)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21NO6
MOLECULAR WEIGHT: 383.39454
SMILES: CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=CC3=CC=CC=C3OC2)C)C
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22N3O5+
MOLECULAR WEIGHT: 336.36298
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21N3O5
MOLECULAR WEIGHT: 335.35504
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(3-fluoroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-fluoroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H20FN2O3+
MOLECULAR WEIGHT: 295.329303
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F
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Product OPENEYE NAME: methyl 1-[2-(3-fluoroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19FN2O3
MOLECULAR WEIGHT: 294.321363
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)F
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate
CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-oxo-2-(2-oxo-3-oxazolidinyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate
MOLECULAR FORMULA: C18H20N2O6S
MOLECULAR WEIGHT: 392.4262
SMILES: C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC(=O)N3CCOC3=O
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22N3O5+
MOLECULAR WEIGHT: 336.36298
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21N3O5
MOLECULAR WEIGHT: 335.35504
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-[(Z)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(2-methoxyethyl)thiourea
CAS Name: 1-(2-methoxyethyl)-3-[(Z)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea
IUPAC NAME: 1-(2-methoxyethyl)-3-[(Z)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-[(Z)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea
MOLECULAR FORMULA: C15H18N4O2S
MOLECULAR WEIGHT: 318.39402
SMILES: COCCNC(=S)N/N=C\1/C2=CC=CC=C2N(C1=O)CC=C
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Product OPENEYE NAME: [(1S)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H15Cl2NO4
MOLECULAR WEIGHT: 392.2327
SMILES: C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22N3O5+
MOLECULAR WEIGHT: 336.36298
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21N3O5
MOLECULAR WEIGHT: 335.35504
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl 1,3-benzothiazole-6-carboxylate
CAS Name: 1,3-benzothiazole-6-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C16H10N2O3S2
MOLECULAR WEIGHT: 342.3922
SMILES: C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC4=C(C=C3)N=CS4
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