Tuesday, July 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(3-chloro-4-fluoro-phenyl)-4-(dimethylamino)cyclohexanone
CAS Name: 4-(3-chloro-4-fluorophenyl)-4-(dimethylamino)-1-cyclohexanone
IUPAC NAME: 4-(3-chloro-4-fluorophenyl)-4-(dimethylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(3-chloranyl-4-fluoranyl-phenyl)-4-(dimethylamino)cyclohexan-1-one
MOLECULAR FORMULA: C14H17ClFNO
MOLECULAR WEIGHT: 269.742283
SMILES: CN(C)C1(CCC(=O)CC1)C2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: 4-cyano-4-(p-tolyl)heptanedioic acid
CAS Name: 4-cyano-4-(4-methylphenyl)heptanedioic acid
IUPAC NAME: 4-cyano-4-(4-methylphenyl)heptanedioic acid
SYSTEMATIC NAME: 4-cyano-4-(4-methylphenyl)heptanedioic acid
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CC1=CC=C(C=C1)C(CCC(=O)O)(CCC(=O)O)C#N
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Product OPENEYE NAME: 4-(2,4-dichlorophenyl)-4-isocyanato-cyclohexanone
CAS Name: 4-(2,4-dichlorophenyl)-4-isocyanato-1-cyclohexanone
IUPAC NAME: 4-(2,4-dichlorophenyl)-4-isocyanatocyclohexan-1-one
SYSTEMATIC NAME: 4-(2,4-dichlorophenyl)-4-isocyanato-cyclohexan-1-one
MOLECULAR FORMULA: C13H11Cl2NO2
MOLECULAR WEIGHT: 284.13794
SMILES: C1CC(CCC1=O)(C2=C(C=C(C=C2)Cl)Cl)N=C=O
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Product OPENEYE NAME: 4-(4-chlorophenyl)-4-(dipropylamino)cyclohexanone
CAS Name: 4-(4-chlorophenyl)-4-(dipropylamino)-1-cyclohexanone
IUPAC NAME: 4-(4-chlorophenyl)-4-(dipropylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-4-(dipropylamino)cyclohexan-1-one
MOLECULAR FORMULA: C18H26ClNO
MOLECULAR WEIGHT: 307.85814
SMILES: CCCN(CCC)C1(CCC(=O)CC1)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [3-[1-[butyl(methyl)amino]-4-oxo-cyclohexyl]phenyl] butanoate
CAS Name: butanoic acid [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] ester
IUPAC NAME: [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] butanoate
SYSTEMATIC NAME: [3-[1-[butyl(methyl)amino]-4-oxidanylidene-cyclohexyl]phenyl] butanoate
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: CCCCN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)CCC
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Product OPENEYE NAME: 4-(dimethylamino)-4-(2-thienyl)cyclohexanone; ethylene
CAS Name: 4-(dimethylamino)-4-thiophen-2-yl-1-cyclohexanone; ethene
IUPAC NAME: 4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-one; ethene
SYSTEMATIC NAME: 4-(dimethylamino)-4-thiophen-2-yl-cyclohexan-1-one; ethene
MOLECULAR FORMULA: C14H21NOS
MOLECULAR WEIGHT: 251.38764
SMILES: CN(C)C1(CCC(=O)CC1)C2=CC=CS2.C=C
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Product OPENEYE NAME: 1-[butyl(ethyl)amino]-4-oxo-cyclohexanecarbonitrile
CAS Name: 1-[butyl(ethyl)amino]-4-oxo-1-cyclohexanecarbonitrile
IUPAC NAME: 1-[butyl(ethyl)amino]-4-oxocyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-[butyl(ethyl)amino]-4-oxidanylidene-cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C13H22N2O
MOLECULAR WEIGHT: 222.32658
SMILES: CCCCN(CC)C1(CCC(=O)CC1)C#N
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Product OPENEYE NAME: 4-(2-chlorophenyl)-4-(methylamino)cyclohexanone
CAS Name: 4-(2-chlorophenyl)-4-(methylamino)-1-cyclohexanone
IUPAC NAME: 4-(2-chlorophenyl)-4-(methylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(2-chlorophenyl)-4-(methylamino)cyclohexan-1-one
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: CNC1(CCC(=O)CC1)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 4-(3-chlorophenyl)-4-cyano-heptanedioic acid
CAS Name: 4-(3-chlorophenyl)-4-cyanoheptanedioic acid
IUPAC NAME: 4-(3-chlorophenyl)-4-cyanoheptanedioic acid
SYSTEMATIC NAME: 4-(3-chlorophenyl)-4-cyano-heptanedioic acid
MOLECULAR FORMULA: C14H14ClNO4
MOLECULAR WEIGHT: 295.71826
SMILES: C1=CC(=CC(=C1)Cl)C(CCC(=O)O)(CCC(=O)O)C#N
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Product OPENEYE NAME: 4-(dimethylamino)-4-(2-ethylphenyl)cyclohexanone
CAS Name: 4-(dimethylamino)-4-(2-ethylphenyl)-1-cyclohexanone
IUPAC NAME: 4-(dimethylamino)-4-(2-ethylphenyl)cyclohexan-1-one
SYSTEMATIC NAME: 4-(dimethylamino)-4-(2-ethylphenyl)cyclohexan-1-one
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCC1=CC=CC=C1C2(CCC(=O)CC2)N(C)C
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Product OPENEYE NAME: 4-(5-chloro-2-methoxy-phenyl)-4-cyano-heptanedioic acid
CAS Name: 4-(5-chloro-2-methoxyphenyl)-4-cyanoheptanedioic acid
IUPAC NAME: 4-(5-chloro-2-methoxyphenyl)-4-cyanoheptanedioic acid
SYSTEMATIC NAME: 4-(5-chloranyl-2-methoxy-phenyl)-4-cyano-heptanedioic acid
MOLECULAR FORMULA: C15H16ClNO5
MOLECULAR WEIGHT: 325.74424
SMILES: COC1=C(C=C(C=C1)Cl)C(CCC(=O)O)(CCC(=O)O)C#N
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Product OPENEYE NAME: 4-(3-bromo-4-methoxy-phenyl)-4-(dimethylamino)cyclohexanone
CAS Name: 4-(3-bromo-4-methoxyphenyl)-4-(dimethylamino)-1-cyclohexanone
IUPAC NAME: 4-(3-bromo-4-methoxyphenyl)-4-(dimethylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(3-bromanyl-4-methoxy-phenyl)-4-(dimethylamino)cyclohexan-1-one
MOLECULAR FORMULA: C15H20BrNO2
MOLECULAR WEIGHT: 326.2288
SMILES: CN(C)C1(CCC(=O)CC1)C2=CC(=C(C=C2)OC)Br
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Product OPENEYE NAME: 1-(3-benzyloxyphenyl)-4-oxo-cyclohexanecarboxylic acid
CAS Name: 4-oxo-1-(3-phenylmethoxyphenyl)-1-cyclohexanecarboxylic acid
IUPAC NAME: 4-oxo-1-(3-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-1-(3-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: C1CC(CCC1=O)(C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 4-benzyl-4-(dimethylamino)cyclohexanone
CAS Name: 4-(dimethylamino)-4-(phenylmethyl)-1-cyclohexanone
IUPAC NAME: 4-benzyl-4-(dimethylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(dimethylamino)-4-(phenylmethyl)cyclohexan-1-one
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CN(C)C1(CCC(=O)CC1)CC2=CC=CC=C2
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