Tuesday, November 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-acetyl-4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
CAS Name: 1-acetyl-4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-imidazolone
IUPAC NAME: 1-acetyl-4-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
SYSTEMATIC NAME: 4-(3,4-dimethoxyphenyl)-1-ethanoyl-3-(3,4,5-trimethoxyphenyl)imidazol-2-one
MOLECULAR FORMULA: C22H24N2O7
MOLECULAR WEIGHT: 428.43516
SMILES: CC(=O)N1C=C(N(C1=O)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 1-[[4-(3-methoxyphenyl)-2-thienyl]methyl]imidazole
CAS Name: 1-[[4-(3-methoxyphenyl)-2-thiophenyl]methyl]imidazole
IUPAC NAME: 1-[[4-(3-methoxyphenyl)thiophen-2-yl]methyl]imidazole
SYSTEMATIC NAME: 1-[[4-(3-methoxyphenyl)thiophen-2-yl]methyl]imidazole
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: COC1=CC=CC(=C1)C2=CSC(=C2)CN3C=CN=C3
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(propoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-9-(propoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(propoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-(propoxymethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C25H34O8
MOLECULAR WEIGHT: 462.53266
SMILES: CCCOCO[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(butoxymethoxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(butoxymethoxy)-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(butoxymethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(butoxymethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C26H36O8
MOLECULAR WEIGHT: 476.55924
SMILES: CCCCOCO[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC
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Product OPENEYE NAME: [(3S,4S,5R)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl heptanoate
CAS Name: heptanoic acid [(3S,4S,5R)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl ester
IUPAC NAME: [(3S,4S,5R)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl heptanoate
SYSTEMATIC NAME: [(3S,4S,5R)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl heptanoate
MOLECULAR FORMULA: C22H31Cl2NO2
MOLECULAR WEIGHT: 412.39304
SMILES: CCCCCCC(=O)OC[C@@H]1[C@H]2CCC(N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: [(3S)-2-fluoro-3-(hexadecanoylamino)-4-[4-[(4-methoxy-3,5-dimethyl-2-pyridyl)methoxy]phenyl]butyl]phosphonic acid
CAS Name: [(3S)-2-fluoro-4-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]-3-(1-oxohexadecylamino)butyl]phosphonic acid
IUPAC NAME: [(3S)-2-fluoro-3-(hexadecanoylamino)-4-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid
SYSTEMATIC NAME: [(3S)-2-fluoranyl-3-(hexadecanoylamino)-4-[4-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid
MOLECULAR FORMULA: C35H56FN2O6P
MOLECULAR WEIGHT: 650.801104
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=NC=C(C(=C2C)OC)C)C(CP(=O)(O)O)F
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Product OPENEYE NAME: (2S)-2-(5-bromo-2-thienyl)-2-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-N-isopropyl-acetamide
CAS Name: (2S)-2-(5-bromo-2-thiophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-N-propan-2-ylacetamide
IUPAC NAME: (2S)-2-(5-bromothiophen-2-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: (2S)-2-(5-bromanylthiophen-2-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C26H32BrN3O3S
MOLECULAR WEIGHT: 546.51958
SMILES: CC(C)C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=CC=C(S2)Br)C(=O)NC(C)C)C3CC4=CC=CC=C4C3
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Product OPENEYE NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] decanedioate
CAS Name: decanedioic acid bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] ester
IUPAC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] decanedioate
SYSTEMATIC NAME: bis[[(3S,4S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl] decanedioate
MOLECULAR FORMULA: C40H52Cl4N2O4
MOLECULAR WEIGHT: 766.66388
SMILES: CN1C2CCC1[C@H]([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)COC(=O)CCCCCCCCC(=O)OC[C@H]4[C@H](CC5CCC4N5C)C6=CC(=C(C=C6)Cl)Cl
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Product OPENEYE NAME: N-butyl-4-methyl-1,4-dihydroquinazolin-2-amine
CAS Name: N-butyl-4-methyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: N-butyl-4-methyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: N-butyl-4-methyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C13H19N3
MOLECULAR WEIGHT: 217.31006
SMILES: CCCCNC1=NC(C2=CC=CC=C2N1)C
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Product OPENEYE NAME: 1-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol
CAS Name: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-(1-pyrrolidinyl)-2-propanol
IUPAC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]-3-pyrrolidin-1-yl-propan-2-ol
MOLECULAR FORMULA: C25H29NO3S
MOLECULAR WEIGHT: 423.56766
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CN3CCCC3)O)C4=CC=CS4
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Product OPENEYE NAME: 1-(3-imidazol-1-ylpropylamino)-3-[4-[(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]propan-2-ol
CAS Name: 1-[3-(1-imidazolyl)propylamino]-3-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-2-propanol
IUPAC NAME: 1-(3-imidazol-1-ylpropylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(3-imidazol-1-ylpropylamino)-3-[4-[(4-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C27H31N3O3S
MOLECULAR WEIGHT: 477.61834
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC(CNCCCN3C=CN=C3)O)C4=CC=CS4
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Product OPENEYE NAME: (E)-N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxo-chromen-7-yl]oxyethyl]-3-(3,5-difluorophenyl)prop-2-enamide
CAS Name: (E)-3-(3,5-difluorophenyl)-N-[2-[[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxo-1-benzopyran-7-yl]oxy]ethyl]-2-propenamide
IUPAC NAME: (E)-N-[2-[3-[4-[[benzyl(ethyl)amino]methyl]phenyl]-2-oxochromen-7-yl]oxyethyl]-3-(3,5-difluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-[3,5-bis(fluoranyl)phenyl]-N-[2-[3-[4-[[ethyl-(phenylmethyl)amino]methyl]phenyl]-2-oxidanylidene-chromen-7-yl]oxyethyl]prop-2-enamide
MOLECULAR FORMULA: C36H32F2N2O4
MOLECULAR WEIGHT: 594.647086
SMILES: CCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CC4=C(C=C(C=C4)OCCNC(=O)/C=C/C5=CC(=CC(=C5)F)F)OC3=O
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