Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [2-[(1,1-dimethyl-2-ureido-ethoxy)methyl]-4-nitro-phenyl]methyl 2-thioxopyrrolidine-1-carboxylate
CAS Name: 2-sulfanylidene-1-pyrrolidinecarboxylic acid [2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-nitrophenyl]methyl ester
IUPAC NAME: [2-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-4-nitrophenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate
SYSTEMATIC NAME: [2-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]-4-nitro-phenyl]methyl 2-sulfanylidenepyrrolidine-1-carboxylate
MOLECULAR FORMULA: C18H24N4O6S
MOLECULAR WEIGHT: 424.47136
SMILES: CC(C)(CNC(=O)N)OCC1=C(C=CC(=C1)[N+](=O)[O-])COC(=O)N2CCCC2=S
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Product OPENEYE NAME: benzyl 2-(2-amino-1-methoxy-2-oxo-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
CAS Name: 2-(2-amino-1-methoxy-2-oxoethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-(2-amino-1-methoxy-2-oxoethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2-(2-azanyl-1-methoxy-2-oxidanylidene-ethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C16H22N2O7S
MOLECULAR WEIGHT: 386.42008
SMILES: COC(C1CC(CN1C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C)C(=O)N
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Product OPENEYE NAME: benzyl 2-formyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
CAS Name: 2-formyl-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-formyl-4-methylsulfonyloxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2-methanoyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C14H17NO6S
MOLECULAR WEIGHT: 327.35288
SMILES: CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C=O
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Product OPENEYE NAME: 2-[(3-methylsulfonyloxypyrrolidin-1-yl)methoxy]acetic acid
CAS Name: 2-[(3-methylsulfonyloxy-1-pyrrolidinyl)methoxy]acetic acid
IUPAC NAME: 2-[(3-methylsulfonyloxypyrrolidin-1-yl)methoxy]acetic acid
SYSTEMATIC NAME: 2-[(3-methylsulfonyloxypyrrolidin-1-yl)methoxy]ethanoic acid
MOLECULAR FORMULA: C8H15NO6S
MOLECULAR WEIGHT: 253.2728
SMILES: CS(=O)(=O)OC1CCN(C1)COCC(=O)O
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Product OPENEYE NAME: allyl 2-(2-ureidoethoxymethyl)pyrrolidine-1-carboxylate
CAS Name: 2-[2-(carbamoylamino)ethoxymethyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl 2-[2-(carbamoylamino)ethoxymethyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: prop-2-enyl 2-[2-(aminocarbonylamino)ethoxymethyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C12H21N3O4
MOLECULAR WEIGHT: 271.31284
SMILES: C=CCOC(=O)N1CCCC1COCCNC(=O)N
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Product OPENEYE NAME: 1-(pyrrolidin-1-ylmethoxy)ethylurea
CAS Name: 1-(1-pyrrolidinylmethoxy)ethylurea
IUPAC NAME: 1-(pyrrolidin-1-ylmethoxy)ethylurea
SYSTEMATIC NAME: 1-[1-(pyrrolidin-1-ylmethoxy)ethyl]urea
MOLECULAR FORMULA: C8H17N3O2
MOLECULAR WEIGHT: 187.23948
SMILES: CC(NC(=O)N)OCN1CCCC1
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Product OPENEYE NAME: [1-[butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CAS Name: [1-[butyl(dimethyl)silyl]oxy-2-pyrrolidinyl]methanol
IUPAC NAME: [1-[butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [1-[butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C11H25NO2Si
MOLECULAR WEIGHT: 231.4072
SMILES: CCCC[Si](C)(C)ON1CCCC1CO
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Product OPENEYE NAME: 2-(pyrrolidin-1-ylmethoxy)acetamide
CAS Name: 2-(1-pyrrolidinylmethoxy)acetamide
IUPAC NAME: 2-(pyrrolidin-1-ylmethoxy)acetamide
SYSTEMATIC NAME: 2-(pyrrolidin-1-ylmethoxy)ethanamide
MOLECULAR FORMULA: C7H14N2O2
MOLECULAR WEIGHT: 158.19826
SMILES: C1CCN(C1)COCC(=O)N
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Product OPENEYE NAME: 2-(pyrrolidin-1-ylmethoxy)ethylurea
CAS Name: 2-(1-pyrrolidinylmethoxy)ethylurea
IUPAC NAME: 2-(pyrrolidin-1-ylmethoxy)ethylurea
SYSTEMATIC NAME: 1-[2-(pyrrolidin-1-ylmethoxy)ethyl]urea
MOLECULAR FORMULA: C8H17N3O2
MOLECULAR WEIGHT: 187.23948
SMILES: C1CCN(C1)COCCNC(=O)N
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Product OPENEYE NAME: 2-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]ethylurea
CAS Name: 2-[[1-(1-iminoethyl)-2-pyrrolidinyl]methoxy]ethylurea
IUPAC NAME: 2-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]ethylurea
SYSTEMATIC NAME: 1-[2-[(1-ethanimidoylpyrrolidin-2-yl)methoxy]ethyl]urea
MOLECULAR FORMULA: C10H20N4O2
MOLECULAR WEIGHT: 228.2914
SMILES: CC(=N)N1CCCC1COCCNC(=O)N
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Product OPENEYE NAME: [1-[(2-amino-2-oxo-ethoxy)methyl]pyrrolidin-3-yl] methanesulfonate
CAS Name: methanesulfonic acid [1-[(2-amino-2-oxoethoxy)methyl]-3-pyrrolidinyl] ester
IUPAC NAME: [1-[(2-amino-2-oxoethoxy)methyl]pyrrolidin-3-yl] methanesulfonate
SYSTEMATIC NAME: [1-[(2-azanyl-2-oxidanylidene-ethoxy)methyl]pyrrolidin-3-yl] methanesulfonate
MOLECULAR FORMULA: C8H16N2O5S
MOLECULAR WEIGHT: 252.28804
SMILES: CS(=O)(=O)OC1CCN(C1)COCC(=O)N
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Product OPENEYE NAME: (4-nitrophenyl)methyl 2-(2-aminoethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
CAS Name: 2-(2-aminoethoxymethyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl 2-(2-aminoethoxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 2-(2-azanylethoxymethyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C16H23N3O8S
MOLECULAR WEIGHT: 417.43412
SMILES: CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCN
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Product OPENEYE NAME: 2-[[1-butoxycarbonyl-4-[tert-butyl(dimethyl)silyl]oxy-pyrrolidin-2-yl]methoxy]acetic acid
CAS Name: 2-[[1-[butoxy(oxo)methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-pyrrolidinyl]methoxy]acetic acid
IUPAC NAME: 2-[[1-butoxycarbonyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methoxy]acetic acid
SYSTEMATIC NAME: 2-[[1-butoxycarbonyl-4-[tert-butyl(dimethyl)silyl]oxy-pyrrolidin-2-yl]methoxy]ethanoic acid
MOLECULAR FORMULA: C18H35NO6Si
MOLECULAR WEIGHT: 389.5591
SMILES: CCCCOC(=O)N1CC(CC1COCC(=O)O)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: [2-methyl-2-(pyrrolidin-2-ylmethoxy)propyl]urea
CAS Name: [2-methyl-2-(2-pyrrolidinylmethoxy)propyl]urea
IUPAC NAME: [2-methyl-2-(pyrrolidin-2-ylmethoxy)propyl]urea
SYSTEMATIC NAME: 1-[2-methyl-2-(pyrrolidin-2-ylmethoxy)propyl]urea
MOLECULAR FORMULA: C10H21N3O2
MOLECULAR WEIGHT: 215.29264
SMILES: CC(C)(CNC(=O)N)OCC1CCCN1
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Product OPENEYE NAME: tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methoxy-2-oxo-ethoxy)methyl]pyrrolidine-1-carboxylate
CAS Name: 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methoxy-2-oxoethoxy)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methoxy-2-oxoethoxy)methyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methoxy-2-oxidanylidene-ethoxy)methyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C19H37NO6Si
MOLECULAR WEIGHT: 403.58568
SMILES: CC(C)(C)OC(=O)N1CC(CC1COCC(=O)OC)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: N,N-dimethyl-1-[(2E,6E)-octa-2,6-dienyl]sulfanyl-ethanamine
CAS Name: N,N-dimethyl-1-[[(2E,6E)-octa-2,6-dienyl]thio]ethanamine
IUPAC NAME: N,N-dimethyl-1-[(2E,6E)-octa-2,6-dienyl]sulfanylethanamine
SYSTEMATIC NAME: N,N-dimethyl-1-[(2E,6E)-octa-2,6-dienyl]sulfanyl-ethanamine
MOLECULAR FORMULA: C12H23NS
MOLECULAR WEIGHT: 213.38272
SMILES: C/C=C/CC/C=C/CSC(C)N(C)C
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Product OPENEYE NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
CAS Name: 6-[[(2E)-2-hydroxyimino-1-oxoethoxy]methyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoacetyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: tert-butyl 6-[[(2E)-2-hydroxyiminoethanoyl]oxymethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C17H21NO7
MOLECULAR WEIGHT: 351.35114
SMILES: CC1(OC2=C(O1)C=C(C(=C2)COC(=O)/C=N/O)C(=O)OC(C)(C)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H24N4O8S2
MOLECULAR WEIGHT: 656.68496
SMILES: C1C2CC(C1C3C2CC(C3)C(=O)S(=O)(=O)C4=CC=CC5=C4C=CC(=C5[O-])[N+]#N)C(=O)S(=O)(=O)C6=CC=CC7=C6C=CC(=C7[O-])[N+]#N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H26N4O8S2+2
MOLECULAR WEIGHT: 658.70084
SMILES: C1C2CC(C1C3C2CC(C3)C(=O)S(=O)(=O)C4=CC=CC5=C4C=CC(=C5O)[N+]#N)C(=O)S(=O)(=O)C6=CC=CC7=C6C=CC(=C7O)[N+]#N
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Product OPENEYE NAME: 7-(8-amino-8-oxo-octyl)bicyclo[3.3.1]nona-1(9),2,4-triene-7-carboxamide
CAS Name: 7-(8-amino-8-oxooctyl)-7-bicyclo[3.3.1]nona-1(9),2,4-trienecarboxamide
IUPAC NAME: 7-(8-amino-8-oxooctyl)bicyclo[3.3.1]nona-1(9),2,4-triene-7-carboxamide
SYSTEMATIC NAME: 7-(8-azanyl-8-oxidanylidene-octyl)bicyclo[3.3.1]nona-1(9),2,4-triene-7-carboxamide
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: C1C2=CC(=CC=C2)CC1(CCCCCCCC(=O)N)C(=O)N
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Product OPENEYE NAME: [2-(2,3-dihydroxypropoxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid [2-(2,3-dihydroxypropoxy)-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
IUPAC NAME: [2-(2,3-dihydroxypropoxy)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [2-[2,3-bis(oxidanyl)propoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C14H22O7
MOLECULAR WEIGHT: 302.32028
SMILES: CC(=C)C(=O)OCC(COC(=O)C(=C)C)OCC(CO)O
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