Tuesday, July 24, 2012

All Chemical Compounds Information



Product OPENEYE NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
CAS Name: 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methyl-2-pyrrolyl]methyl]-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methylpyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C33H44ClN3O6
MOLECULAR WEIGHT: 617.190445
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)CC2=N/C(=C\C3=C(C(=C(N3)C)CCCl)C)/C(=C2CCC(=O)OC)C)C(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoate
CAS Name: 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-(trideuteriomethyl)-2-pyrrolyl]methyl]-4-methyl-3-pyrrolyl]propanoic acid methyl est
IUPAC NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propan
MOLECULAR FORMULA: C37H46Cl2N4O4
MOLECULAR WEIGHT: 684.710025
SMILES: [2H]C([2H])([2H])C\1=C(C(=N/C1=C\C2=C(C(=C(N2)C)C)CCCl)CC3=N/C(=C\C4=C(C(=C(N4)C)CCCl)C)/C(=C3CCC(=O)OC)C)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H40Cl2N4O4
MOLECULAR WEIGHT: 666.651685
SMILES: [2H]C([2H])([2H])C1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC(=C1CCC(=O)OC)N2)N5)CCC(=O)OC)C)C)CCCl)C)CCCl
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Product OPENEYE NAME: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H38N4O4
MOLECULAR WEIGHT: 593.729805
SMILES: [2H]C([2H])([2H])C1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C2)C(=C5C)CCC(=O)OC)N4)C)C=C)C)C=C)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[2-(deuteriomethyl)-5-formyl-4-(trideuteriomethyl)-1H-pyrrol-3-yl]propanoate
CAS Name: 3-[2-(deuteriomethyl)-5-formyl-4-(trideuteriomethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[2-(deuteriomethyl)-5-formyl-4-(trideuteriomethyl)-1H-pyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[2-(deuteriomethyl)-5-methanoyl-4-(trideuteriomethyl)-1H-pyrrol-3-yl]propanoate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 213.266347
SMILES: [2H]CC1=C(C(=C(N1)C=O)C([2H])([2H])[2H])CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[(5Z)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxo-propyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
CAS Name: 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[(5Z)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methyl-2-pyrrolyl]methyl]-4-methyl-2-pyrrolylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid methyl
IUPAC NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[(5Z)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-4-methylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[(5Z)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methyl-pyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]p
MOLECULAR FORMULA: C37H46Cl2N4O4
MOLECULAR WEIGHT: 684.710025
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)C)/C=C\2/C(=C(C(=N2)CC3=N/C(=C\C4=C(C(=C(N4)C)CCC(=O)OC)C)/C(=C3C)CCCl)CCCl)C
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Product OPENEYE NAME: methyl 3-[7,12-bis(2-chloroethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[7,12-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[7,12-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[7,12-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-21,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H40Cl2N4O4
MOLECULAR WEIGHT: 666.651685
SMILES: [2H]C([2H])([2H])C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCCl)C)CCCl)C)CCC(=O)OC)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-7,12-divinyl-22,23-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13-trimethyl-17-(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H38N4O4
MOLECULAR WEIGHT: 593.729805
SMILES: [2H]C([2H])([2H])C1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)C=C)C)C=C)C(=C3CCC(=O)OC)C)CCC(=O)OC
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Product OPENEYE NAME: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxo-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
CAS Name: 5-(deuteriomethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-(deuteriomethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 285.372067
SMILES: [2H]CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C([2H])([2H])[2H])CCC(=O)OC
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Product OPENEYE NAME: tert-butyl 5-(acetoxymethyl)-4-(3-methoxy-3-oxo-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
CAS Name: 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C17H25NO6
MOLECULAR WEIGHT: 342.401985
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)COC(=O)C)C(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl 6,6,6-trideuterio-5-oxo-4-(2,2,2-trideuterioacetyl)hexanoate
CAS Name: 6,6,6-trideuterio-5-oxo-4-(2,2,2-trideuterio-1-oxoethyl)hexanoic acid methyl ester
IUPAC NAME: methyl 6,6,6-trideuterio-5-oxo-4-(2,2,2-trideuterioacetyl)hexanoate
SYSTEMATIC NAME: methyl 6,6,6-trideuterio-5-oxidanylidene-4-(2,2,2-trideuterioethanoyl)hexanoate
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 192.242031
SMILES: [2H]C([2H])([2H])C(=O)C(CCC(=O)OC)C(=O)C([2H])([2H])[2H]
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Product OPENEYE NAME: methyl 3-[5-[(Z)-[4-(2-chloroethyl)-5-[[(5Z)-4-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-methyl-pyrrol-2-yl]methyl]-3-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
CAS Name: 3-[5-[(Z)-[4-(2-chloroethyl)-5-[[(5Z)-4-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-methyl-2-pyrrolyl]methyl]-3-methyl-2-pyrrolylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-[(Z)-[4-(2-chloroethyl)-5-[[(5Z)-4-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-yl]methyl]-3-methylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-[(Z)-[4-(2-chloroethyl)-5-[[(5Z)-4-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-methyl-pyrrol-2-yl]methyl]-3-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
MOLECULAR FORMULA: C37H46Cl2N4O4
MOLECULAR WEIGHT: 681.69154
SMILES: CC1=C(/C(=C/C2=C(C(=C(N2)C)CCC(=O)OC)C)/N=C1CC3=N/C(=C\C4=C(C(=C(N4)C)CCC(=O)OC)C)/C(=C3CCCl)C)CCCl
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Product OPENEYE NAME: 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Name: 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
IUPAC NAME: 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: CC1=C(NC(=C1CCCl)C)C(=O)O
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Product OPENEYE NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoate
CAS Name: 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methyl-2-pyrrolyl]methyl]-4-methyl-3-pyrrolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methylpyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoate
MOLECULAR FORMULA: C37H46Cl2N4O4
MOLECULAR WEIGHT: 681.69154
SMILES: CC1=C(NC(=C1CCCl)/C=C\2/C(=C(C(=N2)CC3=N/C(=C\C4=C(C(=C(N4)C)CCCl)C)/C(=C3CCC(=O)OC)C)CCC(=O)OC)C)C
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Product OPENEYE NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H40Cl2N4O4
MOLECULAR WEIGHT: 663.6332
SMILES: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCCl)C)CCCl)C)CCC(=O)OC)CCC(=O)OC
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