Tuesday, July 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [3-[1-[butyl(methyl)amino]-4-oxo-cyclohexyl]phenyl] acetate
CAS Name: acetic acid [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] ester
IUPAC NAME: [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] acetate
SYSTEMATIC NAME: [3-[1-[butyl(methyl)amino]-4-oxidanylidene-cyclohexyl]phenyl] ethanoate
MOLECULAR FORMULA: C19H27NO3
MOLECULAR WEIGHT: 317.42258
SMILES: CCCCN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C
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Product OPENEYE NAME: [3-[1-(cyclopropylmethylamino)-4-oxo-cyclohexyl]phenyl] acetate
CAS Name: acetic acid [3-[1-(cyclopropylmethylamino)-4-oxocyclohexyl]phenyl] ester
IUPAC NAME: [3-[1-(cyclopropylmethylamino)-4-oxocyclohexyl]phenyl] acetate
SYSTEMATIC NAME: [3-[1-(cyclopropylmethylamino)-4-oxidanylidene-cyclohexyl]phenyl] ethanoate
MOLECULAR FORMULA: C18H23NO3
MOLECULAR WEIGHT: 301.38012
SMILES: CC(=O)OC1=CC=CC(=C1)C2(CCC(=O)CC2)NCC3CC3
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Product OPENEYE NAME: [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] acetate hydrochloride
CAS Name: acetic acid [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] ester hydrochloride
IUPAC NAME: [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] acetate hydrochloride
SYSTEMATIC NAME: [3-[4-oxidanylidene-1-(pentylamino)cyclohexyl]phenyl] ethanoate hydrochloride
MOLECULAR FORMULA: C19H28ClNO3
MOLECULAR WEIGHT: 353.88352
SMILES: CCCCCNC1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C.Cl
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Product OPENEYE NAME: [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] acetate
CAS Name: acetic acid [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] ester
IUPAC NAME: [3-[4-oxo-1-(pentylamino)cyclohexyl]phenyl] acetate
SYSTEMATIC NAME: [3-[4-oxidanylidene-1-(pentylamino)cyclohexyl]phenyl] ethanoate
MOLECULAR FORMULA: C19H27NO3
MOLECULAR WEIGHT: 317.42258
SMILES: CCCCCNC1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C
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Product OPENEYE NAME: 4-(3-bromo-5-propoxy-phenyl)-4-(dimethylamino)cyclohexanone
CAS Name: 4-(3-bromo-5-propoxyphenyl)-4-(dimethylamino)-1-cyclohexanone
IUPAC NAME: 4-(3-bromo-5-propoxyphenyl)-4-(dimethylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(3-bromanyl-5-propoxy-phenyl)-4-(dimethylamino)cyclohexan-1-one
MOLECULAR FORMULA: C17H24BrNO2
MOLECULAR WEIGHT: 354.28196
SMILES: CCCOC1=CC(=CC(=C1)C2(CCC(=O)CC2)N(C)C)Br
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Product OPENEYE NAME: bicyclo[2.2.0]hexane; 4-(3-hydroxyphenyl)cyclohexanone; N-methylmethanamine
CAS Name: bicyclo[2.2.0]hexane; 4-(3-hydroxyphenyl)-1-cyclohexanone; N-methylmethanamine
IUPAC NAME: bicyclo[2.2.0]hexane; 4-(3-hydroxyphenyl)cyclohexan-1-one; N-methylmethanamine
SYSTEMATIC NAME: bicyclo[2.2.0]hexane; 4-(3-hydroxyphenyl)cyclohexan-1-one; N-methylmethanamine
MOLECULAR FORMULA: C20H31NO2
MOLECULAR WEIGHT: 317.46564
SMILES: CNC.C1CC2C1CC2.C1CC(=O)CCC1C2=CC(=CC=C2)O
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Product OPENEYE NAME: 4-(3-hydroxyphenyl)cyclohexanone
CAS Name: 4-(3-hydroxyphenyl)-1-cyclohexanone
IUPAC NAME: 4-(3-hydroxyphenyl)cyclohexan-1-one
SYSTEMATIC NAME: 4-(3-hydroxyphenyl)cyclohexan-1-one
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: C1CC(=O)CCC1C2=CC(=CC=C2)O
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Product OPENEYE NAME: 4-(4-chlorophenyl)-4-(dimethylamino)-2-ethyl-cyclohexanone
CAS Name: 4-(4-chlorophenyl)-4-(dimethylamino)-2-ethyl-1-cyclohexanone
IUPAC NAME: 4-(4-chlorophenyl)-4-(dimethylamino)-2-ethylcyclohexan-1-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-4-(dimethylamino)-2-ethyl-cyclohexan-1-one
MOLECULAR FORMULA: C16H22ClNO
MOLECULAR WEIGHT: 279.80498
SMILES: CCC1CC(CCC1=O)(C2=CC=C(C=C2)Cl)N(C)C
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Product OPENEYE NAME: 4-[2-(3-bromophenyl)ethyl]-4-(dimethylamino)cyclohexanone
CAS Name: 4-[2-(3-bromophenyl)ethyl]-4-(dimethylamino)-1-cyclohexanone
IUPAC NAME: 4-[2-(3-bromophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-[2-(3-bromophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-one
MOLECULAR FORMULA: C16H22BrNO
MOLECULAR WEIGHT: 324.25598
SMILES: CN(C)C1(CCC(=O)CC1)CCC2=CC(=CC=C2)Br
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Product OPENEYE NAME: ethylene; 4-phenyl-4-pyrrolidin-1-yl-cyclohexanone
CAS Name: ethene; 4-phenyl-4-(1-pyrrolidinyl)-1-cyclohexanone
IUPAC NAME: ethene; 4-phenyl-4-pyrrolidin-1-ylcyclohexan-1-one
SYSTEMATIC NAME: ethene; 4-phenyl-4-pyrrolidin-1-yl-cyclohexan-1-one
MOLECULAR FORMULA: C18H25NO
MOLECULAR WEIGHT: 271.3972
SMILES: C=C.C1CCN(C1)C2(CCC(=O)CC2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-amino-4-[(3-methoxyphenyl)methyl]cyclohexanone
CAS Name: 4-amino-4-[(3-methoxyphenyl)methyl]-1-cyclohexanone
IUPAC NAME: 4-amino-4-[(3-methoxyphenyl)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 4-azanyl-4-[(3-methoxyphenyl)methyl]cyclohexan-1-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: COC1=CC=CC(=C1)CC2(CCC(=O)CC2)N
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Product OPENEYE NAME: 4-cyano-4-(3,5-diisopropylphenyl)heptanedioic acid
CAS Name: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid
IUPAC NAME: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid
SYSTEMATIC NAME: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: CC(C)C1=CC(=CC(=C1)C(CCC(=O)O)(CCC(=O)O)C#N)C(C)C
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Product OPENEYE NAME: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxo-cyclohexanecarboxylate
CAS Name: 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester
IUPAC NAME: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: methyl 5-cyano-5-[(3-methoxyphenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: COC1=CC=CC(=C1)CC2(CCC(=O)C(C2)C(=O)OC)C#N
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Product OPENEYE NAME: 4-isocyanato-4-(p-tolyl)cyclohexanone
CAS Name: 4-isocyanato-4-(4-methylphenyl)-1-cyclohexanone
IUPAC NAME: 4-isocyanato-4-(4-methylphenyl)cyclohexan-1-one
SYSTEMATIC NAME: 4-isocyanato-4-(4-methylphenyl)cyclohexan-1-one
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=CC=C(C=C1)C2(CCC(=O)CC2)N=C=O
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Product OPENEYE NAME: 4-(3-hydroxyphenyl)-4-pyrrolidin-1-yl-cyclohexanone
CAS Name: 4-(3-hydroxyphenyl)-4-(1-pyrrolidinyl)-1-cyclohexanone
IUPAC NAME: 4-(3-hydroxyphenyl)-4-pyrrolidin-1-ylcyclohexan-1-one
SYSTEMATIC NAME: 4-(3-hydroxyphenyl)-4-pyrrolidin-1-yl-cyclohexan-1-one
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: C1CCN(C1)C2(CCC(=O)CC2)C3=CC(=CC=C3)O
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Product OPENEYE NAME: ethylene; 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexanone
CAS Name: ethene; 4-[(3-methoxyphenyl)methyl]-4-(methylamino)-1-cyclohexanone
IUPAC NAME: ethene; 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexan-1-one
SYSTEMATIC NAME: ethene; 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexan-1-one
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CNC1(CCC(=O)CC1)CC2=CC(=CC=C2)OC.C=C
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Product OPENEYE NAME: 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexanone
CAS Name: 4-[(3-methoxyphenyl)methyl]-4-(methylamino)-1-cyclohexanone
IUPAC NAME: 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-[(3-methoxyphenyl)methyl]-4-(methylamino)cyclohexan-1-one
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CNC1(CCC(=O)CC1)CC2=CC(=CC=C2)OC
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Product OPENEYE NAME: 4-[cyclopropylmethyl(methyl)amino]-4-(3-hydroxyphenyl)cyclohexanone; ethylene
CAS Name: 4-[cyclopropylmethyl(methyl)amino]-4-(3-hydroxyphenyl)-1-cyclohexanone; ethene
IUPAC NAME: 4-[cyclopropylmethyl(methyl)amino]-4-(3-hydroxyphenyl)cyclohexan-1-one; ethene
SYSTEMATIC NAME: 4-[cyclopropylmethyl(methyl)amino]-4-(3-hydroxyphenyl)cyclohexan-1-one; ethene
MOLECULAR FORMULA: C19H27NO2
MOLECULAR WEIGHT: 301.42318
SMILES: CN(CC1CC1)C2(CCC(=O)CC2)C3=CC(=CC=C3)O.C=C
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Product OPENEYE NAME: 4-cyano-4-[(4-methoxyphenyl)methyl]heptanedioic acid
CAS Name: 4-cyano-4-[(4-methoxyphenyl)methyl]heptanedioic acid
IUPAC NAME: 4-cyano-4-[(4-methoxyphenyl)methyl]heptanedioic acid
SYSTEMATIC NAME: 4-cyano-4-[(4-methoxyphenyl)methyl]heptanedioic acid
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: COC1=CC=C(C=C1)CC(CCC(=O)O)(CCC(=O)O)C#N
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Product OPENEYE NAME: 4-(4-chlorophenyl)-4-[cyclopropyl(methyl)amino]cyclohexanone
CAS Name: 4-(4-chlorophenyl)-4-[cyclopropyl(methyl)amino]-1-cyclohexanone
IUPAC NAME: 4-(4-chlorophenyl)-4-[cyclopropyl(methyl)amino]cyclohexan-1-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-4-[cyclopropyl(methyl)amino]cyclohexan-1-one
MOLECULAR FORMULA: C16H20ClNO
MOLECULAR WEIGHT: 277.7891
SMILES: CN(C1CC1)C2(CCC(=O)CC2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [3-[1-(hexylamino)-4-oxo-cyclohexyl]phenyl] acetate
CAS Name: acetic acid [3-[1-(hexylamino)-4-oxocyclohexyl]phenyl] ester
IUPAC NAME: [3-[1-(hexylamino)-4-oxocyclohexyl]phenyl] acetate
SYSTEMATIC NAME: [3-[1-(hexylamino)-4-oxidanylidene-cyclohexyl]phenyl] ethanoate
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: CCCCCCNC1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C
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Product OPENEYE NAME: 4-(3-chlorophenyl)-4-(methylamino)cyclohexanone
CAS Name: 4-(3-chlorophenyl)-4-(methylamino)-1-cyclohexanone
IUPAC NAME: 4-(3-chlorophenyl)-4-(methylamino)cyclohexan-1-one
SYSTEMATIC NAME: 4-(3-chlorophenyl)-4-(methylamino)cyclohexan-1-one
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: CNC1(CCC(=O)CC1)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 1-(2,4-dichlorophenyl)-4-oxo-cyclohexanecarboxylic acid
CAS Name: 1-(2,4-dichlorophenyl)-4-oxo-1-cyclohexanecarboxylic acid
IUPAC NAME: 1-(2,4-dichlorophenyl)-4-oxocyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-4-oxidanylidene-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C13H12Cl2O3
MOLECULAR WEIGHT: 287.13858
SMILES: C1CC(CCC1=O)(C2=C(C=C(C=C2)Cl)Cl)C(=O)O
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Product OPENEYE NAME: 4-(4-fluorophenyl)-4-isocyanato-cyclohexanone
CAS Name: 4-(4-fluorophenyl)-4-isocyanato-1-cyclohexanone
IUPAC NAME: 4-(4-fluorophenyl)-4-isocyanatocyclohexan-1-one
SYSTEMATIC NAME: 4-(4-fluorophenyl)-4-isocyanato-cyclohexan-1-one
MOLECULAR FORMULA: C13H12FNO2
MOLECULAR WEIGHT: 233.238283
SMILES: C1CC(CCC1=O)(C2=CC=C(C=C2)F)N=C=O
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