Saturday, June 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate
CAS Name: 4-[3-(3-acetyl-1-imidazol-1-iumyl)propoxy]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate
SYSTEMATIC NAME: ethyl 4-[3-(3-ethanoylimidazol-1-ium-1-yl)propoxy]benzoate
MOLECULAR FORMULA: C17H21N2O4+
MOLECULAR WEIGHT: 317.35964
SMILES: CCOC(=O)C1=CC=C(C=C1)OCCC[N+]2=CN(C=C2)C(=O)C
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Product OPENEYE NAME: 2-[4-chloro-2-(iodomethyl)phenoxy]acetic acid
CAS Name: 2-[4-chloro-2-(iodomethyl)phenoxy]acetic acid
IUPAC NAME: 2-[4-chloro-2-(iodomethyl)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-chloranyl-2-(iodanylmethyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C9H8ClIO3
MOLECULAR WEIGHT: 326.51549
SMILES: C1=CC(=C(C=C1Cl)CI)OCC(=O)O
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Product OPENEYE NAME: 2-[4-(bromomethyl)phenoxy]-2-methoxy-acetic acid
CAS Name: 2-[4-(bromomethyl)phenoxy]-2-methoxyacetic acid
IUPAC NAME: 2-[4-(bromomethyl)phenoxy]-2-methoxyacetic acid
SYSTEMATIC NAME: 2-[4-(bromomethyl)phenoxy]-2-methoxy-ethanoic acid
MOLECULAR FORMULA: C10H11BrO4
MOLECULAR WEIGHT: 275.09594
SMILES: COC(C(=O)O)OC1=CC=C(C=C1)CBr
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Product OPENEYE NAME: (E)-3-[4-[2-(p-tolylsulfonyloxy)ethoxy]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C18H18O6S
MOLECULAR WEIGHT: 362.39692
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methyl-propanoate bromide
CAS Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methylpropanoic acid ethyl ester bromide
IUPAC NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methylpropanoate bromide
SYSTEMATIC NAME: ethyl 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methyl-propanoate bromide
MOLECULAR FORMULA: C18H24BrN2O4-
MOLECULAR WEIGHT: 412.29816
SMILES: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C.[Br-]
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Product OPENEYE NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methyl-propanoate
CAS Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methylpropanoic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]-2-methyl-propanoate
MOLECULAR FORMULA: C18H24N2O4
MOLECULAR WEIGHT: 332.39416
SMILES: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CN2CN(C=C2)C(=O)C
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Product OPENEYE NAME: (3-chloro-2-oxo-pyrrolidin-1-yl) acetate
CAS Name: acetic acid (3-chloro-2-oxo-1-pyrrolidinyl) ester
IUPAC NAME: (3-chloro-2-oxopyrrolidin-1-yl) acetate
SYSTEMATIC NAME: (3-chloranyl-2-oxidanylidene-pyrrolidin-1-yl) ethanoate
MOLECULAR FORMULA: C6H8ClNO3
MOLECULAR WEIGHT: 177.58562
SMILES: CC(=O)ON1CCC(C1=O)Cl
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Product OPENEYE NAME: benzyl [1-(4-methoxybenzoyl)-2-oxo-pyrrolidin-3-yl] carbonate
CAS Name: carbonic acid [1-[(4-methoxyphenyl)-oxomethyl]-2-oxo-3-pyrrolidinyl] (phenylmethyl) ester
IUPAC NAME: benzyl [1-(4-methoxybenzoyl)-2-oxopyrrolidin-3-yl] carbonate
SYSTEMATIC NAME: [1-(4-methoxyphenyl)carbonyl-2-oxidanylidene-pyrrolidin-3-yl] (phenylmethyl) carbonate
MOLECULAR FORMULA: C20H19NO6
MOLECULAR WEIGHT: 369.36796
SMILES: COC1=CC=C(C=C1)C(=O)N2CCC(C2=O)OC(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-methoxybenzoyl)-4-trimethylsilyloxy-pyrrolidin-2-one
CAS Name: 1-[(4-methoxyphenyl)-oxomethyl]-4-trimethylsilyloxy-2-pyrrolidinone
IUPAC NAME: 1-(4-methoxybenzoyl)-4-trimethylsilyloxypyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-methoxyphenyl)carbonyl-4-trimethylsilyloxy-pyrrolidin-2-one
MOLECULAR FORMULA: C15H21NO4Si
MOLECULAR WEIGHT: 307.41704
SMILES: COC1=CC=C(C=C1)C(=O)N2CC(CC2=O)O[Si](C)(C)C
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Product OPENEYE NAME: 2-hydroxy-4-[(4-methoxybenzoyl)amino]butanoic acid
CAS Name: 2-hydroxy-4-[[(4-methoxyphenyl)-oxomethyl]amino]butanoic acid
IUPAC NAME: 2-hydroxy-4-[(4-methoxybenzoyl)amino]butanoic acid
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)carbonylamino]-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: COC1=CC=C(C=C1)C(=O)NCCC(C(=O)O)O
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Product OPENEYE NAME: acetonitrile; ethyl acetate; 2-isopropoxypropane
CAS Name: acetic acid ethyl ester; acetonitrile; 2-propan-2-yloxypropane
IUPAC NAME: acetonitrile; ethyl acetate; 2-propan-2-yloxypropane
SYSTEMATIC NAME: ethanenitrile; ethyl ethanoate; 2-propan-2-yloxypropane
MOLECULAR FORMULA: C12H25NO3
MOLECULAR WEIGHT: 231.3318
SMILES: CCOC(=O)C.CC#N.CC(C)OC(C)C
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Product OPENEYE NAME: [2-methoxy-5-(5-oxo-2H-pyrrole-1-carbonyl)phenyl] benzoate
CAS Name: benzoic acid [2-methoxy-5-[oxo-(5-oxo-2H-pyrrol-1-yl)methyl]phenyl] ester
IUPAC NAME: [2-methoxy-5-(5-oxo-2H-pyrrole-1-carbonyl)phenyl] benzoate
SYSTEMATIC NAME: [2-methoxy-5-[(5-oxidanylidene-2H-pyrrol-1-yl)carbonyl]phenyl] benzoate
MOLECULAR FORMULA: C19H15NO5
MOLECULAR WEIGHT: 337.3261
SMILES: COC1=C(C=C(C=C1)C(=O)N2CC=CC2=O)OC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-methoxybenzoyl)-3-trimethylsilyloxy-pyrrolidin-2-one
CAS Name: 1-[(4-methoxyphenyl)-oxomethyl]-3-trimethylsilyloxy-2-pyrrolidinone
IUPAC NAME: 1-(4-methoxybenzoyl)-3-trimethylsilyloxypyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-methoxyphenyl)carbonyl-3-trimethylsilyloxy-pyrrolidin-2-one
MOLECULAR FORMULA: C15H21NO4Si
MOLECULAR WEIGHT: 307.41704
SMILES: COC1=CC=C(C=C1)C(=O)N2CCC(C2=O)O[Si](C)(C)C
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Product OPENEYE NAME: trimethylsilyl 2-oxo-2-pyrrolidin-3-yl-acetate
CAS Name: 2-oxo-2-(3-pyrrolidinyl)acetic acid trimethylsilyl ester
IUPAC NAME: trimethylsilyl 2-oxo-2-pyrrolidin-3-ylacetate
SYSTEMATIC NAME: trimethylsilyl 2-oxidanylidene-2-pyrrolidin-3-yl-ethanoate
MOLECULAR FORMULA: C9H17NO3Si
MOLECULAR WEIGHT: 215.32168
SMILES: C[Si](C)(C)OC(=O)C(=O)C1CCNC1
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Product OPENEYE NAME: 3-hydroxy-4-[(4-methoxybenzoyl)amino]butanoic acid
CAS Name: 3-hydroxy-4-[[(4-methoxyphenyl)-oxomethyl]amino]butanoic acid
IUPAC NAME: 3-hydroxy-4-[(4-methoxybenzoyl)amino]butanoic acid
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)carbonylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: COC1=CC=C(C=C1)C(=O)NCC(CC(=O)O)O
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Product OPENEYE NAME: (2-oxopyrrolidin-3-yl) acetate
CAS Name: acetic acid (2-oxo-3-pyrrolidinyl) ester
IUPAC NAME: (2-oxopyrrolidin-3-yl) acetate
SYSTEMATIC NAME: (2-oxidanylidenepyrrolidin-3-yl) ethanoate
MOLECULAR FORMULA: C6H9NO3
MOLECULAR WEIGHT: 143.14056
SMILES: CC(=O)OC1CCNC1=O
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Product OPENEYE NAME: (2-oxo-2-pyrrolidin-3-yl-acetyl) 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [1,2-dioxo-2-(3-pyrrolidinyl)ethyl] ester
IUPAC NAME: (2-oxo-2-pyrrolidin-3-ylacetyl) 4-methoxybenzoate
SYSTEMATIC NAME: (2-oxidanylidene-2-pyrrolidin-3-yl-ethanoyl) 4-methoxybenzoate
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: COC1=CC=C(C=C1)C(=O)OC(=O)C(=O)C2CCNC2
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