Saturday, July 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl (E)-3-[4-(2-aminoethyl)phenyl]prop-2-enoate
CAS Name: (E)-3-[4-(2-aminoethyl)phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-(2-aminoethyl)phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-(2-azanylethyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)CCN
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Product OPENEYE NAME: (E)-3-[4-[2-[[(E)-2-(4-chlorophenyl)vinyl]sulfonylamino]ethyl]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C19H18ClNO4S
MOLECULAR WEIGHT: 391.86852
SMILES: C1=CC(=CC=C1CCNS(=O)(=O)/C=C/C2=CC=C(C=C2)Cl)/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 2-[4-[2-(2-phenylethylsulfonylamino)ethyl]phenyl]propanoate
CAS Name: 2-[4-[2-(2-phenylethylsulfonylamino)ethyl]phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[2-(2-phenylethylsulfonylamino)ethyl]phenyl]propanoate
SYSTEMATIC NAME: ethyl 2-[4-[2-(2-phenylethylsulfonylamino)ethyl]phenyl]propanoate
MOLECULAR FORMULA: C21H27NO4S
MOLECULAR WEIGHT: 389.50838
SMILES: CCOC(=O)C(C)C1=CC=C(C=C1)CCNS(=O)(=O)CCC2=CC=CC=C2
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Product OPENEYE NAME: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
CAS Name: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
IUPAC NAME: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
SYSTEMATIC NAME: octane; 2-[4-[2-(sulfinoamino)ethyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C18H31NO4S
MOLECULAR WEIGHT: 357.50804
SMILES: CCCCCCCC.C1=CC(=CC=C1CCNS(=O)O)CC(=O)O
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Product OPENEYE NAME: 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
CAS Name: 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
IUPAC NAME: 2-[4-[2-(sulfinoamino)ethyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[2-(sulfinoamino)ethyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C10H13NO4S
MOLECULAR WEIGHT: 243.27952
SMILES: C1=CC(=CC=C1CCNS(=O)O)CC(=O)O
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Product OPENEYE NAME: hexadecane; 4-[2-(sulfinoamino)ethyl]benzoic acid
CAS Name: hexadecane; 4-[2-(sulfinoamino)ethyl]benzoic acid
IUPAC NAME: hexadecane; 4-[2-(sulfinoamino)ethyl]benzoic acid
SYSTEMATIC NAME: hexadecane; 4-[2-(sulfinoamino)ethyl]benzoic acid
MOLECULAR FORMULA: C25H45NO4S
MOLECULAR WEIGHT: 455.6941
SMILES: CCCCCCCCCCCCCCCC.C1=CC(=CC=C1CCNS(=O)O)C(=O)O
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Product OPENEYE NAME: 4-[2-(sulfinoamino)ethyl]benzoic acid
CAS Name: 4-[2-(sulfinoamino)ethyl]benzoic acid
IUPAC NAME: 4-[2-(sulfinoamino)ethyl]benzoic acid
SYSTEMATIC NAME: 4-[2-(sulfinoamino)ethyl]benzoic acid
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: C1=CC(=CC=C1CCNS(=O)O)C(=O)O
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Product OPENEYE NAME: (Z)-3-[4-(2-aminoethyl)phenyl]but-2-enoic acid
CAS Name: (Z)-3-[4-(2-aminoethyl)phenyl]-2-butenoic acid
IUPAC NAME: (Z)-3-[4-(2-aminoethyl)phenyl]but-2-enoic acid
SYSTEMATIC NAME: (Z)-3-[4-(2-azanylethyl)phenyl]but-2-enoic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C/C(=C/C(=O)O)/C1=CC=C(C=C1)CCN
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Product OPENEYE NAME: ethyl (E)-3-[4-[2-(1-naphthylsulfonylamino)ethyl]phenyl]prop-2-enoate
CAS Name: (E)-3-[4-[2-(1-naphthalenylsulfonylamino)ethyl]phenyl]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-[4-[2-(naphthalen-1-ylsulfonylamino)ethyl]phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[4-[2-(naphthalen-1-ylsulfonylamino)ethyl]phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H23NO4S
MOLECULAR WEIGHT: 409.49802
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: (E)-3-[4-[1-(benzenesulfonamido)ethyl]phenyl]but-2-enoic acid
CAS Name: (E)-3-[4-[1-(benzenesulfonamido)ethyl]phenyl]-2-butenoic acid
IUPAC NAME: (E)-3-[4-[1-(benzenesulfonamido)ethyl]phenyl]but-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[1-(phenylsulfonylamino)ethyl]phenyl]but-2-enoic acid
MOLECULAR FORMULA: C18H19NO4S
MOLECULAR WEIGHT: 345.41276
SMILES: CC(C1=CC=C(C=C1)/C(=C/C(=O)O)/C)NS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (E)-3-[4-[[benzenesulfonyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[[benzenesulfonyl(methyl)amino]methyl]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[[benzenesulfonyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[[methyl(phenylsulfonyl)amino]methyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C17H17NO4S
MOLECULAR WEIGHT: 331.38618
SMILES: CN(CC1=CC=C(C=C1)/C=C/C(=O)O)S(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 4-[4-(2-aminoethyl)phenyl]butanoic acid
CAS Name: 4-[4-(2-aminoethyl)phenyl]butanoic acid
IUPAC NAME: 4-[4-(2-aminoethyl)phenyl]butanoic acid
SYSTEMATIC NAME: 4-[4-(2-azanylethyl)phenyl]butanoic acid
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: C1=CC(=CC=C1CCCC(=O)O)CCN
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Product OPENEYE NAME: ethyl 2-[4-(2-aminoethyl)phenyl]-2-methyl-propanoate hydrochloride
CAS Name: 2-[4-(2-aminoethyl)phenyl]-2-methylpropanoic acid ethyl ester hydrochloride
IUPAC NAME: ethyl 2-[4-(2-aminoethyl)phenyl]-2-methylpropanoate hydrochloride
SYSTEMATIC NAME: ethyl 2-[4-(2-azanylethyl)phenyl]-2-methyl-propanoate hydrochloride
MOLECULAR FORMULA: C14H22ClNO2
MOLECULAR WEIGHT: 271.78298
SMILES: CCOC(=O)C(C)(C)C1=CC=C(C=C1)CCN.Cl
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Product OPENEYE NAME: ethyl 2-[4-(2-aminoethyl)phenyl]-2-methyl-propanoate
CAS Name: 2-[4-(2-aminoethyl)phenyl]-2-methylpropanoic acid ethyl ester
IUPAC NAME: ethyl 2-[4-(2-aminoethyl)phenyl]-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[4-(2-azanylethyl)phenyl]-2-methyl-propanoate
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCOC(=O)C(C)(C)C1=CC=C(C=C1)CCN
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Product OPENEYE NAME: (E)-3-[4-[2-(1-naphthylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[2-(1-naphthalenylsulfonylamino)ethyl]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[2-(naphthalen-1-ylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2-(naphthalen-1-ylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C21H19NO4S
MOLECULAR WEIGHT: 381.44486
SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCC3=CC=C(C=C3)/C=C/C(=O)O
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Product OPENEYE NAME: 3-[4-[2-[(3-methoxyphenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CAS Name: 3-[4-[2-[(3-methoxyphenyl)sulfonylamino]ethyl]phenyl]propanoic acid
IUPAC NAME: 3-[4-[2-[(3-methoxyphenyl)sulfonylamino]ethyl]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[4-[2-[(3-methoxyphenyl)sulfonylamino]ethyl]phenyl]propanoic acid
MOLECULAR FORMULA: C18H21NO5S
MOLECULAR WEIGHT: 363.42804
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NCCC2=CC=C(C=C2)CCC(=O)O
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Product OPENEYE NAME: 3-[4-[1-(benzenesulfonamido)ethyl]phenyl]-2-methyl-propanoic acid
CAS Name: 3-[4-[1-(benzenesulfonamido)ethyl]phenyl]-2-methylpropanoic acid
IUPAC NAME: 3-[4-[1-(benzenesulfonamido)ethyl]phenyl]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-methyl-3-[4-[1-(phenylsulfonylamino)ethyl]phenyl]propanoic acid
MOLECULAR FORMULA: C18H21NO4S
MOLECULAR WEIGHT: 347.42864
SMILES: CC(CC1=CC=C(C=C1)C(C)NS(=O)(=O)C2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: (E)-3-[4-[2-(hexadecylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[2-(hexadecylsulfonylamino)ethyl]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[2-(hexadecylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2-(hexadecylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C27H45NO4S
MOLECULAR WEIGHT: 479.7155
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)NCCC1=CC=C(C=C1)/C=C/C(=O)O
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Product OPENEYE NAME: 3-[4-(2-aminoethyl)phenyl]-2-methyl-propanoic acid
CAS Name: 3-[4-(2-aminoethyl)phenyl]-2-methylpropanoic acid
IUPAC NAME: 3-[4-(2-aminoethyl)phenyl]-2-methylpropanoic acid
SYSTEMATIC NAME: 3-[4-(2-azanylethyl)phenyl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(CC1=CC=C(C=C1)CCN)C(=O)O
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Product OPENEYE NAME: (E)-3-[4-[2-(2-naphthylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[2-(2-naphthalenylsulfonylamino)ethyl]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C21H19NO4S
MOLECULAR WEIGHT: 381.44486
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC3=CC=C(C=C3)/C=C/C(=O)O
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Product OPENEYE NAME: 1-(2-ethoxy-2-oxo-ethyl)-4-[2-(sulfinoamino)ethyl]benzene; octane
CAS Name: 1-(2-ethoxy-2-oxoethyl)-4-[2-(sulfinoamino)ethyl]benzene; octane
IUPAC NAME: 1-(2-ethoxy-2-oxoethyl)-4-[2-(sulfinoamino)ethyl]benzene; octane
SYSTEMATIC NAME: 1-(2-ethoxy-2-oxidanylidene-ethyl)-4-[2-(sulfinoamino)ethyl]benzene; octane
MOLECULAR FORMULA: C20H35NO4S
MOLECULAR WEIGHT: 385.5612
SMILES: CCCCCCCC.CCOC(=O)CC1=CC=C(C=C1)CCNS(=O)O
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