Tuesday, February 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[[3-[3-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenyl-propanoate
CAS Name: 2-[[[[3-[3-[4-(1-azocanylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl 2-[[3-[3-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl 2-[[3-[3-[4-(azocan-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C43H51N3O6
MOLECULAR WEIGHT: 705.88154
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)C4OC(CC(O4)C5=CC=C(C=C5)CO)CN6CCCCCCC6
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Product OPENEYE NAME: N-[[3-[4-[4-[[benzyl(methyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
CAS Name: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-(phenylmethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-pyridinecarboxamide
IUPAC NAME: N-[[3-[4-[4-[[benzyl(methyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-(phenylmethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C39H39N3O4
MOLECULAR WEIGHT: 613.74466
SMILES: CN(CC1CC(OC(O1)C2=CC=C(C=C2)C3=CC(=CC=C3)CNC(=O)C4=CN=CC=C4)C5=CC=C(C=C5)CO)CC6=CC=CC=C6
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Product OPENEYE NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-[2-(2-pyridyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]acetamide
CAS Name: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl-[2-(2-pyridinyl)ethyl]amino]methyl]-1,3-dioxan-2-yl]phenyl]acetamide
IUPAC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]ethanamide
MOLECULAR FORMULA: C28H33N3O4
MOLECULAR WEIGHT: 475.57932
SMILES: CC(=O)NC1=CC=CC(=C1)C2OC(CC(O2)C3=CC=C(C=C3)CO)CN(C)CCC4=CC=CC=N4
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Product OPENEYE NAME: 2-[[2-[4-[3-[[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoylamino]methyl]phenyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
CAS Name: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]amino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylthio]benzoic acid
IUPAC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoylamino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
SYSTEMATIC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[4-[3-[[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoylamino]methyl]phenyl]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
MOLECULAR FORMULA: C43H42N2O8S
MOLECULAR WEIGHT: 746.86718
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC2=CC=CC(=C2)C3=CC=C(C=C3)C4OC(CC(O4)C5=CC=C(C=C5)CO)CSC6=CC=CC=C6C(=O)O
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Product OPENEYE NAME: N-[4-[[2-[4-[(1,3-dioxoisoindolin-2-yl)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]phenyl]acetamide
CAS Name: N-[4-[[2-[4-[(1,3-dioxo-2-isoindolyl)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylthio]phenyl]acetamide
IUPAC NAME: N-[4-[[2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[2-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-4-yl]methylsulfanyl]phenyl]ethanamide
MOLECULAR FORMULA: C35H32N2O6S
MOLECULAR WEIGHT: 608.70338
SMILES: CC(=O)NC1=CC=C(C=C1)SCC2CC(OC(O2)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)CO
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Product OPENEYE NAME: N-[[2-[4-[4-[(dibenzylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CAS Name: N-[[2-[4-[4-[[bis(phenylmethyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2-pyrrolidinecarboxamide
IUPAC NAME: N-[[2-[4-[4-[(dibenzylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[[2-[4-[4-[[bis(phenylmethyl)amino]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C46H46F3N3O5
MOLECULAR WEIGHT: 777.86975
SMILES: C1CC(N(C1)C(=O)C(F)(F)F)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C4OC(CC(O4)C5=CC=C(C=C5)CO)CN(CC6=CC=CC=C6)CC7=CC=CC=C7
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Product OPENEYE NAME: 2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CAS Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(2-oxolanylmethyl)acetamide
IUPAC NAME: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]-N-(oxolan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C20H23ClN2O4S
MOLECULAR WEIGHT: 422.92562
SMILES: CC1=C(C=CC=C1Cl)N(CC(=O)NCC2CCCO2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-isopropyl-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CAS Name: 2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-propan-2-ylacetamide
IUPAC NAME: 2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[4-(1-phenylethylsulfamoyl)phenoxy]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: CC(C)NC(=O)COC1=CC=C(C=C1)S(=O)(=O)NC(C)C2=CC=CC=C2
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Product OPENEYE NAME: 2,5,6-trichloropyridine-3-carboxylic acid
CAS Name: 2,5,6-trichloro-3-pyridinecarboxylic acid
IUPAC NAME: 2,5,6-trichloropyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,5,6-tris(chloranyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H2Cl3NO2
MOLECULAR WEIGHT: 226.44458
SMILES: C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O
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Product OPENEYE NAME: 4-cyano-5-(3-cyclohexylpropanoylamino)-N,N-diethyl-3-methyl-thiophene-2-carboxamide
CAS Name: 4-cyano-5-[(3-cyclohexyl-1-oxopropyl)amino]-N,N-diethyl-3-methyl-2-thiophenecarboxamide
IUPAC NAME: 4-cyano-5-(3-cyclohexylpropanoylamino)-N,N-diethyl-3-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 4-cyano-5-(3-cyclohexylpropanoylamino)-N,N-diethyl-3-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C20H29N3O2S
MOLECULAR WEIGHT: 375.52816
SMILES: CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCC2CCCCC2)C#N)C
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Product OPENEYE NAME: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methyl-thiophene-3-carboxylate
CAS Name: 4-ethyl-2-[(2-ethyl-1-oxohexyl)amino]-5-methyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-ethyl-2-(2-ethylhexanoylamino)-5-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C17H27NO3S
MOLECULAR WEIGHT: 325.46618
SMILES: CCCCC(CC)C(=O)NC1=C(C(=C(S1)C)CC)C(=O)OC
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Product OPENEYE NAME: 2,2,2-trichloro-N-cyclooctyl-acetamide
CAS Name: 2,2,2-trichloro-N-cyclooctylacetamide
IUPAC NAME: 2,2,2-trichloro-N-cyclooctylacetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-cyclooctyl-ethanamide
MOLECULAR FORMULA: C10H16Cl3NO
MOLECULAR WEIGHT: 272.59914
SMILES: C1CCCC(CCC1)NC(=O)C(Cl)(Cl)Cl
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