Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-(3-chloroanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(3-chloroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H20ClN2O3+
MOLECULAR WEIGHT: 311.7839
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: methyl 1-[2-(3-chloroanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(3-chloroanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(3-chloroanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19ClN2O3
MOLECULAR WEIGHT: 310.77596
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester
IUPAC NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H15N3O4
MOLECULAR WEIGHT: 373.3615
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
CAS Name: 1-(4-fluorophenyl)-3-[[(4-hexoxyphenyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[(4-hexoxyphenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C20H24FN3O2S
MOLECULAR WEIGHT: 389.486863
SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: [2-oxo-2-(2-oxooxazolidin-3-yl)ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]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-[(4-phenylbenzoyl)amino]acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(2-oxidanylidene-1,3-oxazolidin-3-yl)ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C20H18N2O6
MOLECULAR WEIGHT: 382.36672
SMILES: C1COC(=O)N1C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 1-[2-[4-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H29N2O3+
MOLECULAR WEIGHT: 333.44516
SMILES: CC[C@@H](C)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-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H28N2O3
MOLECULAR WEIGHT: 332.43722
SMILES: CC[C@@H](C)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
CAS Name: 1-(2-fluorophenyl)-3-[[(4-hexoxyphenyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-[(4-hexoxybenzoyl)amino]thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-[(4-hexoxyphenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C20H24FN3O2S
MOLECULAR WEIGHT: 389.486863
SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2F
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Product OPENEYE NAME: methyl 1-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H29N2O3+
MOLECULAR WEIGHT: 333.44516
SMILES: CC[C@H](C)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-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H28N2O3
MOLECULAR WEIGHT: 332.43722
SMILES: CC[C@H](C)C1=CC=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(N-ethylanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(N-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(N-ethylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[ethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H23N2O5+
MOLECULAR WEIGHT: 335.37492
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3
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