Tuesday, March 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H27N2O4+
MOLECULAR WEIGHT: 347.42868
SMILES: CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16F3NO4
MOLECULAR WEIGHT: 391.34055
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H16F3NO4
MOLECULAR WEIGHT: 391.34055
SMILES: C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H27N2O4+
MOLECULAR WEIGHT: 347.42868
SMILES: CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [2-oxo-2-(2-oxo-3-oxazolidinyl)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C17H15NO6
MOLECULAR WEIGHT: 329.3041
SMILES: C1COC(=O)N1C(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: methyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H30N3O4+
MOLECULAR WEIGHT: 376.4699
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29N3O4
MOLECULAR WEIGHT: 375.46196
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2-isopropylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [2-(3-thienyl)thiazol-4-yl]methyl 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester
IUPAC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C20H15NO3S2
MOLECULAR WEIGHT: 381.468
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCC3=CSC(=N3)C4=CSC=C4
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Product OPENEYE NAME: 1-[(E)-(1-methyl-2-oxo-indolin-3-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CAS Name: 1-[(E)-(1-methyl-2-oxo-3-indolylidene)amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea
IUPAC NAME: 1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
SYSTEMATIC NAME: 1-[(E)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
MOLECULAR FORMULA: C16H22N5O2S+
MOLECULAR WEIGHT: 348.44318
SMILES: CN1C2=CC=CC=C2/C(=N\NC(=S)NCC[NH+]3CCOCC3)/C1=O
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