Monday, February 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [6-[2-(2-hydroxyethylcarbamoyl)pyrrolidine-1-carbonyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-iodobenzoate
CAS Name: 3-iodobenzoic acid [6-[[2-[(2-hydroxyethylamino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
IUPAC NAME: [6-[2-(2-hydroxyethylcarbamoyl)pyrrolidine-1-carbonyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-iodobenzoate
SYSTEMATIC NAME: [6-[2-(2-hydroxyethylcarbamoyl)pyrrolidin-1-yl]carbonyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-iodanylbenzoate
MOLECULAR FORMULA: C22H25IN2O7
MOLECULAR WEIGHT: 556.34757
SMILES: C1CC(N(C1)C(=O)C2=CC3C(C(C2)OC(=O)C4=CC(=CC=C4)I)OCO3)C(=O)NCCO
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Product OPENEYE NAME: [2,2-dicyclopropyl-6-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate
CAS Name: 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoic acid [2,2-dicyclopropyl-6-[[[3-[(2-hydroxyethylamino)-oxomethyl]phenyl]methylamino]-oxomethyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
IUPAC NAME: [2,2-dicyclopropyl-6-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]benzoate
SYSTEMATIC NAME: [2,2-dicyclopropyl-6-[[3-(2-hydroxyethylcarbamoyl)phenyl]methylcarbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[3-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethoxy]prop-1-enyl]benzoate
MOLECULAR FORMULA: C36H37F3N2O9
MOLECULAR WEIGHT: 698.68219
SMILES: C1CC1C2(OC3C=C(CC(C3O2)OC(=O)C4=CC=CC(=C4)C=CC(=O)OCC(F)(F)F)C(=O)NCC5=CC=CC(=C5)C(=O)NCCO)C6CC6
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MOLECULAR FORMULA: C45H55N3O9
MOLECULAR WEIGHT: 781.9329
SMILES: CC1(CC2C1CCC3(C(O3)CCC2=CC4=CC=CC=C4CN5C6C(=O)OC7CC6(C(O5)C8C7OC9(O8)CC1=CC=CC=C1C9)C(=O)NCCC(=O)NCCO)C)C
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MOLECULAR FORMULA: C57H63N3O14
MOLECULAR WEIGHT: 1014.12182
SMILES: CC1(COC(=O)C1OC(=O)C=CC2=CC=C(C=C2)CN3C4C(=O)OC5CC4(C(O3)C6C5OC(O6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N(C)C(CC9=CC=CC=C9)C(=O)NC(CCC(=O)OC(C)(C)C)CO)C
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Product OPENEYE NAME: 5-[(4-chlorophenyl)methylamino]-3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
CAS Name: 5-[(4-chlorophenyl)methylamino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[(4-chlorophenyl)methylamino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methylamino]-N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C24H26ClIN2O6
MOLECULAR WEIGHT: 600.83051
SMILES: COC1=C(C(=CC(=C1)C=O)I)OC2C=C(CC(C2O)NCC3=CC=C(C=C3)Cl)C(=O)NCCO
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Product OPENEYE NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[pentanoyl(p-tolylmethyl)amino]cyclohexene-1-carboxamide
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[(4-methylphenyl)methyl-(1-oxopentyl)amino]-1-cyclohexenecarboxamide
IUPAC NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[(4-methylphenyl)methyl-pentanoylamino]cyclohexene-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-(2-iodanylphenoxy)-5-[(4-methylphenyl)methyl-pentanoyl-amino]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C28H35IN2O5
MOLECULAR WEIGHT: 606.49237
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C)C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO
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Product OPENEYE NAME: 3-[cyclohexylmethyl(tetrahydrofuran-2-carbonyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 3-[cyclohexylmethyl-[oxo(2-oxolanyl)methyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[cyclohexylmethyl(oxolane-2-carbonyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: 3-[cyclohexylmethyl(oxolan-2-ylcarbonyl)amino]-N-(2-hydroxyethyl)-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C27H36N2O6
MOLECULAR WEIGHT: 484.58454
SMILES: C1CCC(CC1)CN(C2C=C(C3C(C2O)OC4=CC=CC=C34)C(=O)NCCO)C(=O)C5CCCO5
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Product OPENEYE NAME: 3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[isopentyl(propanoyl)amino]cyclohexene-1-carboxamide
CAS Name: 3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[3-methylbutyl(1-oxopropyl)amino]-1-cyclohexenecarboxamide
IUPAC NAME: 3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-5-[3-methylbutyl(propanoyl)amino]cyclohexene-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-5-[3-methylbutyl(propanoyl)amino]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C25H35IN2O7
MOLECULAR WEIGHT: 602.45907
SMILES: CCC(=O)N(CCC(C)C)C1CC(=CC(C1O)OC2=C(C=C(C=C2I)C=O)OC)C(=O)NCCO
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Product OPENEYE NAME: 5-[(2,4-dichlorophenyl)methyl-dodecanoyl-amino]-3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
CAS Name: 5-[(2,4-dichlorophenyl)methyl-(1-oxododecyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[(2,4-dichlorophenyl)methyl-dodecanoylamino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methyl-dodecanoyl-amino]-N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C36H47Cl2IN2O7
MOLECULAR WEIGHT: 817.57805
SMILES: CCCCCCCCCCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)C2CC(=CC(C2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
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Product OPENEYE NAME: 3-[1-adamantylmethyl-(2-phenylacetyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 3-[1-adamantylmethyl-(1-oxo-2-phenylethyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[1-adamantylmethyl-(2-phenylacetyl)amino]-8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: 3-[1-adamantylmethyl(2-phenylethanoyl)amino]-N-(2-hydroxyethyl)-8-methanoyl-6-methoxy-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C36H42N2O7
MOLECULAR WEIGHT: 614.72788
SMILES: COC1=CC(=CC2=C1OC3C2C(=CC(C3O)N(CC45CC6CC(C4)CC(C6)C5)C(=O)CC7=CC=CC=C7)C(=O)NCCO)C=O
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Product OPENEYE NAME: 5-[(2-cyclopentylacetyl)-(2-methoxyethyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxy-phenoxy]cyclohexene-1-carboxamide
CAS Name: 5-[(2-cyclopentyl-1-oxoethyl)-(2-methoxyethyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-1-cyclohexenecarboxamide
IUPAC NAME: 5-[(2-cyclopentylacetyl)-(2-methoxyethyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[2-cyclopentylethanoyl(2-methoxyethyl)amino]-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodanyl-6-methoxy-phenoxy]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C27H39IN2O8
MOLECULAR WEIGHT: 646.51163
SMILES: COCCN(C1CC(=CC(C1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)CC3CCCC3
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Product OPENEYE NAME: 5-[(2,4-dichlorophenyl)methyl-pentanoyl-amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxy-phenoxy]cyclohexene-1-carboxamide
CAS Name: 5-[(2,4-dichlorophenyl)methyl-(1-oxopentyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-1-cyclohexenecarboxamide
IUPAC NAME: 5-[(2,4-dichlorophenyl)methyl-pentanoylamino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methyl-pentanoyl-amino]-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodanyl-6-methoxy-phenoxy]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C29H35Cl2IN2O7
MOLECULAR WEIGHT: 721.40787
SMILES: CCCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)C2CC(=CC(C2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
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