Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-(1H-indol-3-ylmethyl)-1-phenyl-ethanamine
CAS Name: N-(1H-indol-3-ylmethyl)-1-phenylethanamine
IUPAC NAME: N-(1H-indol-3-ylmethyl)-1-phenylethanamine
SYSTEMATIC NAME: N-(1H-indol-3-ylmethyl)-1-phenyl-ethanamine
MOLECULAR FORMULA: C17H18N2
MOLECULAR WEIGHT: 250.33822
SMILES: CC(C1=CC=CC=C1)NCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [4-[(1,3-benzothiazol-2-ylhydrazono)methyl]-2-ethoxy-phenyl] 2-iodobenzoate
CAS Name: 2-iodobenzoic acid [4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] ester
IUPAC NAME: [4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenyl] 2-iodobenzoate
SYSTEMATIC NAME: [4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2-ethoxy-phenyl] 2-iodanylbenzoate
MOLECULAR FORMULA: C23H18IN3O3S
MOLECULAR WEIGHT: 543.37679
SMILES: CCOC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4I
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Product OPENEYE NAME: 2-anilino-5-[[3-[(2-chloro-6-fluoro-phenyl)methoxy]-4-methoxy-phenyl]methylene]thiazol-4-one
CAS Name: 2-anilino-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-4-thiazolone
IUPAC NAME: 2-anilino-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazol-4-one
SYSTEMATIC NAME: 5-[[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]methylidene]-2-phenylazanyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C24H18ClFN2O3S
MOLECULAR WEIGHT: 468.927723
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3)OCC4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: N-(4-acetylphenyl)-2-(7-ethyl-3-formyl-indol-1-yl)acetamide
CAS Name: N-(4-acetylphenyl)-2-(7-ethyl-3-formyl-1-indolyl)acetamide
IUPAC NAME: N-(4-acetylphenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
SYSTEMATIC NAME: N-(4-ethanoylphenyl)-2-(7-ethyl-3-methanoyl-indol-1-yl)ethanamide
MOLECULAR FORMULA: C21H20N2O3
MOLECULAR WEIGHT: 348.3951
SMILES: CCC1=CC=CC2=C1N(C=C2C=O)CC(=O)NC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: 5-[(5-bromo-2-thienyl)methylene]-1-(3-chloro-4-methyl-phenyl)-2-thioxo-hexahydropyrimidine-4,6-dione
CAS Name: 5-[(5-bromo-2-thiophenyl)methylidene]-1-(3-chloro-4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC NAME: 5-[(5-bromothiophen-2-yl)methylidene]-1-(3-chloro-4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(5-bromanylthiophen-2-yl)methylidene]-1-(3-chloranyl-4-methyl-phenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C16H10BrClN2O2S2
MOLECULAR WEIGHT: 441.7498
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)Br)C(=O)NC2=S)Cl
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Product OPENEYE NAME: methyl 2-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]benzoate
CAS Name: 2-[[[4-[(2,4-dichlorophenoxy)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 2-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[4-[[2,4-bis(chloranyl)phenoxy]methyl]phenyl]carbonylamino]benzoate
MOLECULAR FORMULA: C22H17Cl2NO4
MOLECULAR WEIGHT: 430.28068
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-[(2-allyloxyphenyl)methyleneamino]dodecanamide
CAS Name: N-[(2-prop-2-enoxyphenyl)methylideneamino]dodecanamide
IUPAC NAME: N-[(2-prop-2-enoxyphenyl)methylideneamino]dodecanamide
SYSTEMATIC NAME: N-[(2-prop-2-enoxyphenyl)methylideneamino]dodecanamide
MOLECULAR FORMULA: C22H34N2O2
MOLECULAR WEIGHT: 358.51756
SMILES: CCCCCCCCCCCC(=O)NN=CC1=CC=CC=C1OCC=C
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Product OPENEYE NAME: 3-[2-[6-(6-hydroxyhexylidene)-3-oxo-pyran-2-yl]-2-methoxy-acetyl]-4-isopropyl-5,5-dimethyl-oxazolidin-2-one
CAS Name: 3-[2-[6-(6-hydroxyhexylidene)-3-oxo-2-pyranyl]-2-methoxy-1-oxoethyl]-5,5-dimethyl-4-propan-2-yl-2-oxazolidinone
IUPAC NAME: 3-[2-[6-(6-hydroxyhexylidene)-3-oxopyran-2-yl]-2-methoxyacetyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-methoxy-2-[6-(6-oxidanylhexylidene)-3-oxidanylidene-pyran-2-yl]ethanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C22H33NO7
MOLECULAR WEIGHT: 423.49992
SMILES: CC(C)C1C(OC(=O)N1C(=O)C(C2C(=O)C=CC(=CCCCCCO)O2)OC)(C)C
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Product OPENEYE NAME: [6-[[1-[[4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)vinyl]benzoate
CAS Name: 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoic acid [6-[[[3-hydroxy-1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-oxomethyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
IUPAC NAME: [6-[[3-hydroxy-1-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate
SYSTEMATIC NAME: [6-[[1-[[5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2,2-dipentyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 3-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethenyl]benzoate
MOLECULAR FORMULA: C46H68N2O11
MOLECULAR WEIGHT: 825.03892
SMILES: CCCCCC1(OC2C=C(CC(C2O1)OC(=O)C3=CC=CC(=C3)C=CC4CCC5C(C4)O5)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)OC(C)(C)C)CO)CCCCC
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Product OPENEYE NAME: [6-(2-hydroxyethylcarbamoyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,2'-indane]-4-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
CAS Name: 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoic acid [6'-[(2-hydroxyethylamino)-oxomethyl]-4'-spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]yl] ester
IUPAC NAME: [6'-(2-hydroxyethylcarbamoyl)spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
SYSTEMATIC NAME: [6'-(2-hydroxyethylcarbamoyl)spiro[1,3-dihydroindene-2,2'-3a,4,5,7a-tetrahydro-1,3-benzodioxole]-4'-yl] 2-[3-(2-hydroxyphenyl)prop-1-enyl]benzoate
MOLECULAR FORMULA: C34H33NO7
MOLECULAR WEIGHT: 567.62832
SMILES: C1C(C2C(C=C1C(=O)NCCO)OC3(O2)CC4=CC=CC=C4C3)OC(=O)C5=CC=CC=C5C=CCC6=CC=CC=C6O
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Product OPENEYE NAME: [6-[[1-benzyl-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-carbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(dimethylamino)-3-oxo-prop-1-enyl]benzoate
CAS Name: 4-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoic acid [6-[[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-oxomethyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
IUPAC NAME: [6-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(dimethylamino)-3-oxoprop-1-enyl]benzoate
SYSTEMATIC NAME: [6-[[1-(2-hydroxyethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamoyl]-2,2-diphenyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]benzoate
MOLECULAR FORMULA: C44H45N3O8
MOLECULAR WEIGHT: 743.8434
SMILES: CN(C)C(=O)C=CC1=CC=C(C=C1)C(=O)OC2CC(=CC3C2OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C)C(CC6=CC=CC=C6)C(=O)NCCO
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H55N3O10
MOLECULAR WEIGHT: 713.8574
SMILES: CCCCCC1(OC2C3CC4(C(C2O1)ON(C4C(=O)O3)CC5=CC=CC(=C5)C=COCCO)C(=O)N6CCCC6C(=O)NCCO)CCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H43N3O14
MOLECULAR WEIGHT: 741.73832
SMILES: C1C2C3C(C4C1(C(C(=O)O2)N(O4)CC5=CC=CC=C5C=CCOC6C(C(C(C(O6)CO)O)O)O)C(=O)NCC7=CC=CC(=C7)C(=O)NCCO)OCO3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36IN3O9
MOLECULAR WEIGHT: 697.51531
SMILES: CC(C(C(=O)NCCO)NC(=O)C12CC3C4C(C1ON(C2C(=O)O3)CC5=CC=C(C=C5)I)OC(O4)(C6CC6)C7CC7)O
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Product OPENEYE NAME: 5-[cyclohexylmethyl-(2-norbornan-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide
CAS Name: 5-[[2-(3-bicyclo[2.2.1]heptanyl)-1-oxoethyl]-(cyclohexylmethyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[[2-(3-bicyclo[2.2.1]heptanyl)acetyl]-(cyclohexylmethyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[2-(3-bicyclo[2.2.1]heptanyl)ethanoyl-(cyclohexylmethyl)amino]-N-(2-hydroxyethyl)-3-(2-iodanylphenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C31H43IN2O5
MOLECULAR WEIGHT: 650.58799
SMILES: C1CCC(CC1)CN(C2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO)C(=O)CC4CC5CCC4C5
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Product OPENEYE NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-[isopentyl(2-methylpropanoyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-[3-methylbutyl-(2-methyl-1-oxopropyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 4-hydroxy-N-(2-hydroxyethyl)-3-[3-methylbutyl(2-methylpropanoyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-[3-methylbutyl(2-methylpropanoyl)amino]-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C24H34N2O5
MOLECULAR WEIGHT: 430.53716
SMILES: CC(C)CCN(C1C=C(C2C(C1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)C(C)C
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Product OPENEYE NAME: 3-[cyclopropanecarbonyl-[(2,4-dichlorophenyl)methyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 3-[[cyclopropyl(oxo)methyl]-[(2,4-dichlorophenyl)methyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 3-[cyclopropanecarbonyl-[(2,4-dichlorophenyl)methyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: 3-[cyclopropylcarbonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-hydroxyethyl)-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C26H26Cl2N2O5
MOLECULAR WEIGHT: 517.40104
SMILES: C1CC1C(=O)N(CC2=C(C=C(C=C2)Cl)Cl)C3C=C(C4C(C3O)OC5=CC=CC=C45)C(=O)NCCO
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Product OPENEYE NAME: 5-[1-adamantylmethyl(2-oxobutanoyl)amino]-3-(4-formyl-2-iodo-6-methoxy-phenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
CAS Name: 5-[1-adamantylmethyl(1,2-dioxobutyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)-1-cyclohexenecarboxamide
IUPAC NAME: 5-[1-adamantylmethyl(2-oxobutanoyl)amino]-3-(4-formyl-2-iodo-6-methoxyphenoxy)-4-hydroxy-N-(2-hydroxyethyl)cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[1-adamantylmethyl(2-oxidanylidenebutanoyl)amino]-N-(2-hydroxyethyl)-3-(2-iodanyl-4-methanoyl-6-methoxy-phenoxy)-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C32H41IN2O8
MOLECULAR WEIGHT: 708.58101
SMILES: CCC(=O)C(=O)N(CC12CC3CC(C1)CC(C3)C2)C4CC(=CC(C4O)OC5=C(C=C(C=C5I)C=O)OC)C(=O)NCCO
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Product OPENEYE NAME: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-3-[3-isopropoxypropyl(pent-4-enoyl)amino]-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[1-oxopent-4-enyl(3-propan-2-yloxypropyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[pent-4-enoyl(3-propan-2-yloxypropyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-8-methanoyl-6-methoxy-4-oxidanyl-3-[pent-4-enoyl(3-propan-2-yloxypropyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C28H38N2O8
MOLECULAR WEIGHT: 530.60992
SMILES: CC(C)OCCCN(C1C=C(C2C(C1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO)C(=O)CCC=C
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Product OPENEYE NAME: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[2-(2-methoxyphenyl)ethyl-(tetrahydrofuran-3-carbonyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
CAS Name: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[2-(2-methoxyphenyl)ethyl-[oxo(3-oxolanyl)methyl]amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
IUPAC NAME: 8-formyl-4-hydroxy-N-(2-hydroxyethyl)-6-methoxy-3-[2-(2-methoxyphenyl)ethyl-(oxolane-3-carbonyl)amino]-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-8-methanoyl-6-methoxy-3-[2-(2-methoxyphenyl)ethyl-(oxolan-3-ylcarbonyl)amino]-4-oxidanyl-3,4,4a,9b-tetrahydrodibenzofuran-1-carboxamide
MOLECULAR FORMULA: C31H36N2O9
MOLECULAR WEIGHT: 580.62554
SMILES: COC1=CC=CC=C1CCN(C2C=C(C3C(C2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO)C(=O)C5CCOC5
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Product OPENEYE NAME: 5-[1-adamantylmethyl-(2-norbornan-2-ylacetyl)amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxy-phenoxy]cyclohexene-1-carboxamide
CAS Name: 5-[1-adamantylmethyl-[2-(3-bicyclo[2.2.1]heptanyl)-1-oxoethyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-1-cyclohexenecarboxamide
IUPAC NAME: 5-[1-adamantylmethyl-[2-(3-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-hydroxy-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]cyclohexene-1-carboxamide
SYSTEMATIC NAME: 5-[1-adamantylmethyl-[2-(3-bicyclo[2.2.1]heptanyl)ethanoyl]amino]-N-(2-hydroxyethyl)-3-[4-(hydroxymethyl)-2-iodanyl-6-methoxy-phenoxy]-4-oxidanyl-cyclohexene-1-carboxamide
MOLECULAR FORMULA: C37H51IN2O7
MOLECULAR WEIGHT: 762.71451
SMILES: COC1=C(C(=CC(=C1)CO)I)OC2C=C(CC(C2O)N(CC34CC5CC(C3)CC(C5)C4)C(=O)CC6CC7CCC6C7)C(=O)NCCO
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