Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]pyridin-2-one
CAS Name: 1-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]-2-pyridinone
IUPAC NAME: 1-hydroxy-3-[(4-methoxyphenyl)sulfonylmethyl]pyridin-2-one
SYSTEMATIC NAME: 3-[(4-methoxyphenyl)sulfonylmethyl]-1-oxidanyl-pyridin-2-one
MOLECULAR FORMULA: C13H13NO5S
MOLECULAR WEIGHT: 295.31102
SMILES: COC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CN(C2=O)O
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Product OPENEYE NAME: 1,1,1-trifluoro-3-octylsulfinyl-propan-2-one
CAS Name: 1,1,1-trifluoro-3-octylsulfinyl-2-propanone
IUPAC NAME: 1,1,1-trifluoro-3-octylsulfinylpropan-2-one
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-3-octylsulfinyl-propan-2-one
MOLECULAR FORMULA: C11H19F3O2S
MOLECULAR WEIGHT: 272.32757
SMILES: CCCCCCCCS(=O)CC(=O)C(F)(F)F
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Product OPENEYE NAME: (2R)-3-[4-[1-ethyl-1-[4-[(2S)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]propyl]-2-methyl-phenoxy]propane-1,2-diol
CAS Name: (2R)-3-[4-[3-[4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
IUPAC NAME: (2R)-3-[4-[3-[4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
SYSTEMATIC NAME: (2R)-3-[4-[3-[4-[(2S)-3,3-dimethyl-2-oxidanyl-butoxy]-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenoxy]propane-1,2-diol
MOLECULAR FORMULA: C28H42O5
MOLECULAR WEIGHT: 458.63008
SMILES: CCC(CC)(C1=CC(=C(C=C1)OC[C@@H](CO)O)C)C2=CC(=C(C=C2)OC[C@H](C(C)(C)C)O)C
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Product OPENEYE NAME: 3-butylsulfinyl-1,1,1-trifluoro-propan-2-one
CAS Name: 3-butylsulfinyl-1,1,1-trifluoro-2-propanone
IUPAC NAME: 3-butylsulfinyl-1,1,1-trifluoropropan-2-one
SYSTEMATIC NAME: 3-butylsulfinyl-1,1,1-tris(fluoranyl)propan-2-one
MOLECULAR FORMULA: C7H11F3O2S
MOLECULAR WEIGHT: 216.22125
SMILES: CCCCS(=O)CC(=O)C(F)(F)F
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Product OPENEYE NAME: 1-[3-acetyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]urea
CAS Name: 1-[3-acetyl-5-(1-methyl-5-tetrazolyl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]urea
IUPAC NAME: 1-[3-acetyl-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
SYSTEMATIC NAME: 1-[3-ethanoyl-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
MOLECULAR FORMULA: C27H34FN7O2
MOLECULAR WEIGHT: 507.602963
SMILES: C[C@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC(=CC(=C3)C(=O)C)C4=NN=NN4C
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Product OPENEYE NAME: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridylmethyl)acetamide
CAS Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide
IUPAC NAME: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C33H28F4N4O3
MOLECULAR WEIGHT: 604.594033
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C=C5)F)C(F)(F)F
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Product OPENEYE NAME: 1-[(1R,3R)-1-ethyl-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-3-hydroxy-propyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CAS Name: 1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-1-hydroxypentan-3-yl]-3-[3-(1-methyl-5-tetrazolyl)phenyl]urea
IUPAC NAME: 1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypentan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SYSTEMATIC NAME: 1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxidanyl-pentan-3-yl]-3-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea
MOLECULAR FORMULA: C26H34FN7O2
MOLECULAR WEIGHT: 495.592263
SMILES: CC[C@H](C[C@H](N1CCC[C@H](C1)CC2=CC=C(C=C2)F)O)NC(=O)NC3=CC=CC(=C3)C4=NN=NN4C
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Product OPENEYE NAME: 1-(3,5-diacetylphenyl)-3-[(1S)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]urea
CAS Name: 1-(3,5-diacetylphenyl)-3-[(2S)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]urea
IUPAC NAME: 1-(3,5-diacetylphenyl)-3-[(2S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
SYSTEMATIC NAME: 1-(3,5-diethanoylphenyl)-3-[(2S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
MOLECULAR FORMULA: C27H34FN3O3
MOLECULAR WEIGHT: 467.575563
SMILES: C[C@@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC(=CC(=C3)C(=O)C)C(=O)C
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(trifluoromethyl)-2-imidazolyl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(trifluoromethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C29H27F7N4O3S
MOLECULAR WEIGHT: 644.603502
SMILES: CCS(=O)(=O)CCN([C@H](C)C1=NC(=C(N1C2=CC=C(C=C2)C#N)C(F)(F)F)C3CC3)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CAS Name: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-[(4-methoxyphenyl)methyl]-1-piperazinecarboxamide
IUPAC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C25H30FN5O5
MOLECULAR WEIGHT: 499.534603
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)OC)F
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Product OPENEYE NAME: N-[(1R)-1-[4-[3,5-dichloro-2-[2-fluoro-1-(fluoromethyl)ethoxy]phenyl]-2-fluoro-phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarboxamide
CAS Name: N-[(1R)-1-[4-[3,5-dichloro-2-(1,3-difluoropropan-2-yloxy)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclopropanecarboxamide
IUPAC NAME: N-[(1R)-1-[4-[3,5-dichloro-2-(1,3-difluoropropan-2-yloxy)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[4-[2-[1,3-bis(fluoranyl)propan-2-yloxy]-3,5-bis(chloranyl)phenyl]-2-fluoranyl-phenyl]ethyl]-1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C23H20Cl2F6N2O3
MOLECULAR WEIGHT: 557.312919
SMILES: C[C@H](C1=C(C=C(C=C1)C2=CC(=CC(=C2OC(CF)CF)Cl)Cl)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-7-[3-(methylcarbamoyl)phenyl]-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CAS Name: N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-7-[3-(methylcarbamoyl)phenyl]-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-7-[3-(methylcarbamoyl)phenyl]-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-5-methyl-7-[3-(methylcarbamoyl)phenyl]-4-oxidanyl-3-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C23H22FN5O4
MOLECULAR WEIGHT: 451.450283
SMILES: CNC(=O)C1=CC(=CC=C1)C2CN(C(=C3N2N=C(C3=O)C(=O)NCC4=CC=C(C=C4)F)O)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazolidine
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carb
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5-dim
MOLECULAR FORMULA: C43H63N7O8S2
MOLECULAR WEIGHT: 870.13242
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)C)O)(C)C
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Product OPENEYE NAME: 4-amino-N-(1-naphthyl)-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanamide
CAS Name: 4-amino-N-(1-naphthalenyl)-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanamide
IUPAC NAME: 4-amino-N-naphthalen-1-yl-5-oxo-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanamide
SYSTEMATIC NAME: 4-azanyl-N-naphthalen-1-yl-5-oxidanylidene-5-(1,4,7,10-tetrazacyclododec-1-yl)pentanamide
MOLECULAR FORMULA: C23H34N6O2
MOLECULAR WEIGHT: 426.55506
SMILES: C1CNCCN(CCNCCN1)C(=O)C(CCC(=O)NC2=CC=CC3=CC=CC=C32)N
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Product OPENEYE NAME: N-[(3S,4S)-1-allyl-4-(hydroxycarbamoyl)pyrrolidin-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: (3S,4S)-N-hydroxy-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-1-prop-2-enyl-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-prop-2-enylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-N-oxidanyl-1-prop-2-enyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C26H28N4O4
MOLECULAR WEIGHT: 460.52492
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)CC=C
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Product OPENEYE NAME: N-[(3S,4S)-4-(hydroxycarbamoyl)-1-isobutyl-pyrrolidin-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: (3S,4S)-N-hydroxy-1-(2-methylpropyl)-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-N-hydroxy-1-(2-methylpropyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-1-(2-methylpropyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-N-oxidanyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C27H32N4O4
MOLECULAR WEIGHT: 476.56738
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)CC(C)C
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[2-(1,3-dioxolan-2-yl)ethyl]carbamimidoyl]acetamide
CAS Name: N-[amino-[2-(1,3-dioxolan-2-yl)ethylimino]methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[2-(1,3-dioxolan-2-yl)ethyl]carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[2-(1,3-dioxolan-2-yl)ethyl]carbamimidoyl]ethanamide
MOLECULAR FORMULA: C27H31ClN4O4
MOLECULAR WEIGHT: 511.01244
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCC3OCCO3)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(3-imidazol-1-ylpropyl)carbamimidoyl]acetamide
CAS Name: N-[amino-[3-(1-imidazolyl)propylimino]methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(3-imidazol-1-ylpropyl)carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(3-imidazol-1-ylpropyl)carbamimidoyl]ethanamide
MOLECULAR FORMULA: C28H31ClN6O2
MOLECULAR WEIGHT: 519.03774
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCCCN3C=CN=C3)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: N-[3-[(4-chlorophenyl)methylamino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide
CAS Name: N-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]-N-methyl-5-isoquinolinesulfonamide
IUPAC NAME: N-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]-N-methylisoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-[3-[(4-chlorophenyl)methylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C20H22ClN3O3S
MOLECULAR WEIGHT: 419.92498
SMILES: CN(CC(CNCC1=CC=C(C=C1)Cl)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
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Product OPENEYE NAME: (4R,5S)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(2-hydroxy-4-methoxy-phenyl)oxazolidin-2-one
CAS Name: (4R,5S)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(2-hydroxy-4-methoxyphenyl)-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(3-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(2-hydroxy-4-methoxyphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(4-methoxy-2-oxidanyl-phenyl)-5-[(1R)-2-(3-methoxyphenoxy)-1-oxidanyl-ethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C25H24FNO7
MOLECULAR WEIGHT: 469.458963
SMILES: COC1=CC(=CC=C1)OC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC(=CC=C3)F)C4=C(C=C(C=C4)OC)O)O
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Product OPENEYE NAME: (4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(4-hydroxyphenyl)oxazolidin-2-one
CAS Name: (4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(4-hydroxyphenyl)-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(4-fluorophenyl)-5-[(1R)-1-hydroxy-2-(3-methoxyphenoxy)ethyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-2-(3-methoxyphenoxy)-1-oxidanyl-ethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H22FNO6
MOLECULAR WEIGHT: 439.432983
SMILES: COC1=CC(=CC=C1)OC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)O
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Product OPENEYE NAME: (2R)-3-[4-[1-ethyl-1-[4-[(2R)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]propyl]-2-methyl-phenoxy]propane-1,2-diol
CAS Name: (2R)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
IUPAC NAME: (2R)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol
SYSTEMATIC NAME: (2R)-3-[4-[3-[4-[(2R)-3,3-dimethyl-2-oxidanyl-butoxy]-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenoxy]propane-1,2-diol
MOLECULAR FORMULA: C28H42O5
MOLECULAR WEIGHT: 458.63008
SMILES: CCC(CC)(C1=CC(=C(C=C1)OC[C@@H](CO)O)C)C2=CC(=C(C=C2)OC[C@@H](C(C)(C)C)O)C
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