Monday, August 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-(1-naphthyl)hex-4-enoic acid
CAS Name: (E)-2-(1-naphthalenyl)-4-hexenoic acid
IUPAC NAME: (E)-2-naphthalen-1-ylhex-4-enoic acid
SYSTEMATIC NAME: (E)-2-naphthalen-1-ylhex-4-enoic acid
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: C/C=C/CC(C1=CC=CC2=CC=CC=C21)C(=O)O
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Product OPENEYE NAME: 3-(2-furyl)-2-(2-methyl-1-naphthyl)propanoic acid
CAS Name: 3-(2-furanyl)-2-(2-methyl-1-naphthalenyl)propanoic acid
IUPAC NAME: 3-(furan-2-yl)-2-(2-methylnaphthalen-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(furan-2-yl)-2-(2-methylnaphthalen-1-yl)propanoic acid
MOLECULAR FORMULA: C18H16O3
MOLECULAR WEIGHT: 280.31784
SMILES: CC1=C(C2=CC=CC=C2C=C1)C(CC3=CC=CO3)C(=O)O
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Product OPENEYE NAME: N'-(2,3-dimethylphenyl)-N,N-dimethyl-formamidine
CAS Name: N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide
IUPAC NAME: N'-(2,3-dimethylphenyl)-N,N-dimethylmethanimidamide
SYSTEMATIC NAME: N'-(2,3-dimethylphenyl)-N,N-dimethyl-methanimidamide
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: CC1=C(C(=CC=C1)N=CN(C)C)C
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Product OPENEYE NAME: 2,5-dimethyl-4-nitro-aniline
CAS Name: 2,5-dimethyl-4-nitroaniline
IUPAC NAME: 2,5-dimethyl-4-nitroaniline
SYSTEMATIC NAME: 2,5-dimethyl-4-nitro-aniline
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])C)N
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Product OPENEYE NAME: 1-tetrahydrofuran-2-ylethanone
CAS Name: 1-(2-oxolanyl)ethanone
IUPAC NAME: 1-(oxolan-2-yl)ethanone
SYSTEMATIC NAME: 1-(oxolan-2-yl)ethanone
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC(=O)C1CCCO1
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Product OPENEYE NAME: 2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate chloride
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(4-morpholin-4-iumyl)ethyl ester chloride
IUPAC NAME: 2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate chloride
SYSTEMATIC NAME: 2-morpholin-4-ium-4-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate chloride
MOLECULAR FORMULA: C23H24ClNO5
MOLECULAR WEIGHT: 429.89336
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+]3CCOCC3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 2-morpholinoethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCOCC3)C4=CC=CC=C4
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Product OPENEYE NAME: dimethyl-[2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride
CAS Name: dimethyl-[2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl]azanium chloride
MOLECULAR FORMULA: C21H22ClNO4
MOLECULAR WEIGHT: 387.85668
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C)C)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 2-(dimethylamino)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(dimethylamino)ethyl ester
IUPAC NAME: 2-(dimethylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: diethyl-[2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride
CAS Name: diethyl-[2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl]ammonium chloride
IUPAC NAME: diethyl-[2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl]azanium chloride
MOLECULAR FORMULA: C23H26ClNO4
MOLECULAR WEIGHT: 415.90984
SMILES: CC[NH+](CC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: CCN(CC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl-dipropyl-ammonium chloride
CAS Name: 2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl-dipropylammonium chloride
IUPAC NAME: 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-dipropylazanium chloride
SYSTEMATIC NAME: 2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl-dipropyl-azanium chloride
MOLECULAR FORMULA: C25H30ClNO4
MOLECULAR WEIGHT: 443.963
SMILES: CCC[NH+](CCC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 2-(dipropylamino)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(dipropylamino)ethyl ester
IUPAC NAME: 2-(dipropylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: 2-(dipropylamino)ethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C25H29NO4
MOLECULAR WEIGHT: 407.50206
SMILES: CCCN(CCC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
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Product OPENEYE NAME: diisopropyl-[2-(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)oxyethyl]ammonium chloride
CAS Name: 2-[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethoxy]ethyl-di(propan-2-yl)ammonium chloride
IUPAC NAME: 2-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)oxyethyl-di(propan-2-yl)azanium chloride
SYSTEMATIC NAME: 2-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonyloxyethyl-di(propan-2-yl)azanium chloride
MOLECULAR FORMULA: C25H30ClNO4
MOLECULAR WEIGHT: 443.963
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC[NH+](C(C)C)C(C)C)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 2-(diisopropylamino)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate
CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-[di(propan-2-yl)amino]ethyl ester
IUPAC NAME: 2-[di(propan-2-yl)amino]ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: 2-[di(propan-2-yl)amino]ethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C25H29NO4
MOLECULAR WEIGHT: 407.50206
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN(C(C)C)C(C)C)C3=CC=CC=C3
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