Sunday, April 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one
CAS Name: 2,2-dimethyl-1-(5-pyrimidinyl)-1-propanone
IUPAC NAME: 2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one
SYSTEMATIC NAME: 2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC(C)(C)C(=O)C1=CN=CN=C1
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Product OPENEYE NAME: 2-methyl-1-pyrimidin-5-yl-propan-1-one
CAS Name: 2-methyl-1-(5-pyrimidinyl)-1-propanone
IUPAC NAME: 2-methyl-1-pyrimidin-5-ylpropan-1-one
SYSTEMATIC NAME: 2-methyl-1-pyrimidin-5-yl-propan-1-one
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CC(C)C(=O)C1=CN=CN=C1
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Product OPENEYE NAME: (4-chlorophenyl)-pyrimidin-5-yl-methanone
CAS Name: (4-chlorophenyl)-(5-pyrimidinyl)methanone
IUPAC NAME: (4-chlorophenyl)-pyrimidin-5-ylmethanone
SYSTEMATIC NAME: (4-chlorophenyl)-pyrimidin-5-yl-methanone
MOLECULAR FORMULA: C11H7ClN2O
MOLECULAR WEIGHT: 218.63908
SMILES: C1=CC(=CC=C1C(=O)C2=CN=CN=C2)Cl
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Product OPENEYE NAME: 2-(4-chlorophenoxy)-2-methyl-1-pyrimidin-5-yl-propan-1-one
CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-(5-pyrimidinyl)-1-propanone
IUPAC NAME: 2-(4-chlorophenoxy)-2-methyl-1-pyrimidin-5-ylpropan-1-one
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-2-methyl-1-pyrimidin-5-yl-propan-1-one
MOLECULAR FORMULA: C14H13ClN2O2
MOLECULAR WEIGHT: 276.71822
SMILES: CC(C)(C(=O)C1=CN=CN=C1)OC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-(4-fluorophenyl)-2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one
CAS Name: 3-(4-fluorophenyl)-2,2-dimethyl-1-(5-pyrimidinyl)-1-propanone
IUPAC NAME: 3-(4-fluorophenyl)-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one
SYSTEMATIC NAME: 3-(4-fluorophenyl)-2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one
MOLECULAR FORMULA: C15H15FN2O
MOLECULAR WEIGHT: 258.290803
SMILES: CC(C)(CC1=CC=C(C=C1)F)C(=O)C2=CN=CN=C2
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Product OPENEYE NAME: 1-chloroethyl isopentyl carbonate
CAS Name: carbonic acid 1-chloroethyl 3-methylbutyl ester
IUPAC NAME: 1-chloroethyl 3-methylbutyl carbonate
SYSTEMATIC NAME: 1-chloroethyl 3-methylbutyl carbonate
MOLECULAR FORMULA: C8H15ClO3
MOLECULAR WEIGHT: 194.6559
SMILES: CC(C)CCOC(=O)OC(C)Cl
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Product OPENEYE NAME: 2-(11-hydroxyundecyl)benzene-1,4-diol
CAS Name: 2-(11-hydroxyundecyl)benzene-1,4-diol
IUPAC NAME: 2-(11-hydroxyundecyl)benzene-1,4-diol
SYSTEMATIC NAME: 2-(11-oxidanylundecyl)benzene-1,4-diol
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: C1=CC(=C(C=C1O)CCCCCCCCCCCO)O
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Product OPENEYE NAME: N-benzyl-3-[3-(1-piperidylmethyl)phenoxy]propan-1-amine
CAS Name: N-(phenylmethyl)-3-[3-(1-piperidinylmethyl)phenoxy]-1-propanamine
IUPAC NAME: N-benzyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
SYSTEMATIC NAME: N-(phenylmethyl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
MOLECULAR FORMULA: C22H30N2O
MOLECULAR WEIGHT: 338.4864
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNCC3=CC=CC=C3
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Product OPENEYE NAME: N-benzyl-1,1-dioxo-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
CAS Name: 1,1-dioxo-N-(phenylmethyl)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
IUPAC NAME: N-benzyl-1,1-dioxo-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-N-(phenylmethyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-benzothiazol-3-amine
MOLECULAR FORMULA: C29H33N3O3S
MOLECULAR WEIGHT: 503.65562
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCN(CC3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(1-piperidylmethyl)phenoxy]propan-1-amine
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(1-piperidinylmethyl)phenoxy]-1-propanamine
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-amine
MOLECULAR FORMULA: C23H30N2O3
MOLECULAR WEIGHT: 382.4959
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: ethyl 2-phenylcyclohexanecarboxylate
CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-phenylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-phenylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: CCOC(=O)C1CCCCC1C2=CC=CC=C2
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Product OPENEYE NAME: ethyl 1-allyl-2-phenyl-cyclohexanecarboxylate
CAS Name: 2-phenyl-1-prop-2-enyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-phenyl-1-prop-2-enylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-phenyl-1-prop-2-enyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C18H24O2
MOLECULAR WEIGHT: 272.38196
SMILES: CCOC(=O)C1(CCCCC1C2=CC=CC=C2)CC=C
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Product OPENEYE NAME: ethyl 1-(3-aminopropyl)-2-hydroxy-2-phenyl-cyclohexanecarboxylate
CAS Name: 1-(3-aminopropyl)-2-hydroxy-2-phenyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-aminopropyl)-2-hydroxy-2-phenylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-azanylpropyl)-2-oxidanyl-2-phenyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C18H27NO3
MOLECULAR WEIGHT: 305.41188
SMILES: CCOC(=O)C1(CCCCC1(C2=CC=CC=C2)O)CCCN
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Product OPENEYE NAME: 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenyl-cyclohexanecarboxylic acid
CAS Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenyl-1-cyclohexanecarboxylic acid
IUPAC NAME: 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-2-oxidanyl-2-phenyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C18H27NO3
MOLECULAR WEIGHT: 305.41188
SMILES: CN(C)CCCC1(CCCCC1(C2=CC=CC=C2)O)C(=O)O
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Product OPENEYE NAME: ethyl 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenyl-cyclohexanecarboxylate
CAS Name: 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[3-(dimethylamino)propyl]-2-hydroxy-2-phenylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-[3-(dimethylamino)propyl]-2-oxidanyl-2-phenyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C20H31NO3
MOLECULAR WEIGHT: 333.46504
SMILES: CCOC(=O)C1(CCCCC1(C2=CC=CC=C2)O)CCCN(C)C
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Product OPENEYE NAME: ethyl 1-[3-(dimethylamino)propyl]-2-phenyl-cyclohexanecarboxylate
CAS Name: 1-[3-(dimethylamino)propyl]-2-phenyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[3-(dimethylamino)propyl]-2-phenylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-[3-(dimethylamino)propyl]-2-phenyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C20H31NO2
MOLECULAR WEIGHT: 317.46564
SMILES: CCOC(=O)C1(CCCCC1C2=CC=CC=C2)CCCN(C)C
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Product OPENEYE NAME: 1-[2-(dimethylamino)ethyl]-N-methyl-2-phenyl-cyclohexanecarboxamide
CAS Name: 1-[2-(dimethylamino)ethyl]-N-methyl-2-phenyl-1-cyclohexanecarboxamide
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-N-methyl-2-phenylcyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-N-methyl-2-phenyl-cyclohexane-1-carboxamide
MOLECULAR FORMULA: C18H28N2O
MOLECULAR WEIGHT: 288.42772
SMILES: CNC(=O)C1(CCCCC1C2=CC=CC=C2)CCN(C)C
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Product OPENEYE NAME: 1-[3-(dimethylamino)propyl]-N-methyl-2-phenyl-cyclohexanecarboxamide
CAS Name: 1-[3-(dimethylamino)propyl]-N-methyl-2-phenyl-1-cyclohexanecarboxamide
IUPAC NAME: 1-[3-(dimethylamino)propyl]-N-methyl-2-phenylcyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-N-methyl-2-phenyl-cyclohexane-1-carboxamide
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CNC(=O)C1(CCCCC1C2=CC=CC=C2)CCCN(C)C
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Product OPENEYE NAME: 5,6-dichloro-3-(oxiran-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
CAS Name: 5,6-dichloro-3-(2-oxiranylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin
IUPAC NAME: 5,6-dichloro-3-(oxiran-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
SYSTEMATIC NAME: 5,6-bis(chloranyl)-3-(oxiran-2-ylmethoxymethyl)-2,3-dihydro-1,4-benzodioxine
MOLECULAR FORMULA: C12H12Cl2O4
MOLECULAR WEIGHT: 291.12728
SMILES: C1C(O1)COCC2COC3=C(O2)C(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (5,6-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CAS Name: (5,6-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
IUPAC NAME: (5,6-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SYSTEMATIC NAME: [5,6-bis(chloranyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
MOLECULAR FORMULA: C9H8Cl2O3
MOLECULAR WEIGHT: 235.06402
SMILES: C1C(OC2=C(O1)C=CC(=C2Cl)Cl)CO
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Product OPENEYE NAME: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]propan-1-one
CAS Name: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]-1-propanone
IUPAC NAME: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]propan-1-one
SYSTEMATIC NAME: 1-[5,6-bis(chloranyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]propan-1-one
MOLECULAR FORMULA: C12H12Cl2O4
MOLECULAR WEIGHT: 291.12728
SMILES: CCC(=O)C1=CC(=C(C2=C1OCC(O2)CO)Cl)Cl
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Product OPENEYE NAME: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-one
CAS Name: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1-propanone
IUPAC NAME: 1-[5,6-dichloro-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-one
SYSTEMATIC NAME: 1-[5,6-bis(chloranyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-one
MOLECULAR FORMULA: C12H12Cl2O4
MOLECULAR WEIGHT: 291.12728
SMILES: CCC(=O)C1=CC2=C(C(=C1Cl)Cl)OC(CO2)CO
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Product OPENEYE NAME: (5,6-dichloro-8-propanoyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CAS Name: acetic acid [5,6-dichloro-8-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester
IUPAC NAME: (5,6-dichloro-8-propanoyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
SYSTEMATIC NAME: [5,6-bis(chloranyl)-8-propanoyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ethanoate
MOLECULAR FORMULA: C14H14Cl2O5
MOLECULAR WEIGHT: 333.16396
SMILES: CCC(=O)C1=CC(=C(C2=C1OCC(O2)COC(=O)C)Cl)Cl
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