Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-(tert-butoxycarbonylamino)-6-cyclohexyl-4-hydroxy-hex-2-ynoic acid
CAS Name: 6-cyclohexyl-4-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexynoic acid
IUPAC NAME: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynoic acid
SYSTEMATIC NAME: 6-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-hex-2-ynoic acid
MOLECULAR FORMULA: C17H27NO5
MOLECULAR WEIGHT: 325.39998
SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C#CC(=O)O)O
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Product OPENEYE NAME: 1-(5-oxotetrahydrofuran-2-yl)ethyl N-cyclohexylcarbamate
CAS Name: N-cyclohexylcarbamic acid 1-(5-oxo-2-oxolanyl)ethyl ester
IUPAC NAME: 1-(5-oxooxolan-2-yl)ethyl N-cyclohexylcarbamate
SYSTEMATIC NAME: 1-(5-oxidanylideneoxolan-2-yl)ethyl N-cyclohexylcarbamate
MOLECULAR FORMULA: C13H21NO4
MOLECULAR WEIGHT: 255.31014
SMILES: CC(C1CCC(=O)O1)OC(=O)NC2CCCCC2
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Product OPENEYE NAME: [2-cyclohexyl-1-(4-isobutyl-5-oxo-tetrahydrofuran-2-yl)ethyl] carbamate
CAS Name: carbamic acid [2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxo-2-oxolanyl]ethyl] ester
IUPAC NAME: [2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxooxolan-2-yl]ethyl] carbamate
SYSTEMATIC NAME: [2-cyclohexyl-1-[4-(2-methylpropyl)-5-oxidanylidene-oxolan-2-yl]ethyl] carbamate
MOLECULAR FORMULA: C17H29NO4
MOLECULAR WEIGHT: 311.41646
SMILES: CC(C)CC1CC(OC1=O)C(CC2CCCCC2)OC(=O)N
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Product OPENEYE NAME: 2-(1H-indole-2-carbonylamino)propanoate
CAS Name: 2-[[1H-indol-2-yl(oxo)methyl]amino]propanoate
IUPAC NAME: 2-(1H-indole-2-carbonylamino)propanoate
SYSTEMATIC NAME: 2-(1H-indol-2-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C12H11N2O3-
MOLECULAR WEIGHT: 231.22734
SMILES: CC(C(=O)[O-])NC(=O)C1=CC2=CC=CC=C2N1
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Product OPENEYE NAME: [2-cyclohexyl-1-[4-(2-methylallyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] carbamate
CAS Name: carbamic acid [2-cyclohexyl-1-[4-(2-methylprop-2-enyl)-5-oxo-2-oxolanyl]ethyl] ester
IUPAC NAME: [2-cyclohexyl-1-[4-(2-methylprop-2-enyl)-5-oxooxolan-2-yl]ethyl] carbamate
SYSTEMATIC NAME: [2-cyclohexyl-1-[4-(2-methylprop-2-enyl)-5-oxidanylidene-oxolan-2-yl]ethyl] carbamate
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CC(=C)CC1CC(OC1=O)C(CC2CCCCC2)OC(=O)N
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Product OPENEYE NAME: (tert-butoxycarbonylamino) 4-hydroxy-2-isobutyl-hexanoate
CAS Name: 4-hydroxy-2-(2-methylpropyl)hexanoic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester
IUPAC NAME: [(2-methylpropan-2-yl)oxycarbonylamino] 4-hydroxy-2-(2-methylpropyl)hexanoate
SYSTEMATIC NAME: [(2-methylpropan-2-yl)oxycarbonylamino] 2-(2-methylpropyl)-4-oxidanyl-hexanoate
MOLECULAR FORMULA: C15H29NO5
MOLECULAR WEIGHT: 303.39446
SMILES: CCC(CC(CC(C)C)C(=O)ONC(=O)OC(C)(C)C)O
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Product OPENEYE NAME: N-isobutyl-N-methyl-hexanamide hydrochloride
CAS Name: N-methyl-N-(2-methylpropyl)hexanamide hydrochloride
IUPAC NAME: N-methyl-N-(2-methylpropyl)hexanamide hydrochloride
SYSTEMATIC NAME: N-methyl-N-(2-methylpropyl)hexanamide hydrochloride
MOLECULAR FORMULA: C11H24ClNO
MOLECULAR WEIGHT: 221.76736
SMILES: CCCCCC(=O)N(C)CC(C)C.Cl
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Product OPENEYE NAME: N-isobutyl-N-methyl-hexanamide
CAS Name: N-methyl-N-(2-methylpropyl)hexanamide
IUPAC NAME: N-methyl-N-(2-methylpropyl)hexanamide
SYSTEMATIC NAME: N-methyl-N-(2-methylpropyl)hexanamide
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCCCCC(=O)N(C)CC(C)C
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Product OPENEYE NAME: 1-(4-allyl-5-oxo-tetrahydrofuran-2-yl)ethyl N-cyclohexylcarbamate
CAS Name: N-cyclohexylcarbamic acid 1-(5-oxo-4-prop-2-enyl-2-oxolanyl)ethyl ester
IUPAC NAME: 1-(5-oxo-4-prop-2-enyloxolan-2-yl)ethyl N-cyclohexylcarbamate
SYSTEMATIC NAME: 1-(5-oxidanylidene-4-prop-2-enyl-oxolan-2-yl)ethyl N-cyclohexylcarbamate
MOLECULAR FORMULA: C16H25NO4
MOLECULAR WEIGHT: 295.374
SMILES: CC(C1CC(C(=O)O1)CC=C)OC(=O)NC2CCCCC2
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Product OPENEYE NAME: 5-(tert-butoxyamino)-6-cyclohexyl-4-hydroxy-hexanoate
CAS Name: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxyamino]hexanoate
IUPAC NAME: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxyamino]hexanoate
SYSTEMATIC NAME: 6-cyclohexyl-5-[(2-methylpropan-2-yl)oxyamino]-4-oxidanyl-hexanoate
MOLECULAR FORMULA: C16H30NO4-
MOLECULAR WEIGHT: 300.4137
SMILES: CC(C)(C)ONC(CC1CCCCC1)C(CCC(=O)[O-])O
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Product OPENEYE NAME: 5-(tert-butoxyamino)-6-cyclohexyl-4-hydroxy-hexanoic acid
CAS Name: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxyamino]hexanoic acid
IUPAC NAME: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxyamino]hexanoic acid
SYSTEMATIC NAME: 6-cyclohexyl-5-[(2-methylpropan-2-yl)oxyamino]-4-oxidanyl-hexanoic acid
MOLECULAR FORMULA: C16H31NO4
MOLECULAR WEIGHT: 301.42164
SMILES: CC(C)(C)ONC(CC1CCCCC1)C(CCC(=O)O)O
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Product OPENEYE NAME: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl hexanoate
CAS Name: hexanoic acid 1-(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)ethyl ester
IUPAC NAME: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)ethyl hexanoate
SYSTEMATIC NAME: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl hexanoate
MOLECULAR FORMULA: C28H42O3
MOLECULAR WEIGHT: 426.63128
SMILES: CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(C)OC(=O)CCCCC
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Product OPENEYE NAME: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl butanoate
CAS Name: butanoic acid 1-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)ethyl ester
IUPAC NAME: 1-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)ethyl butanoate
SYSTEMATIC NAME: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl butanoate
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(C)OC(=O)CCC
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Product OPENEYE NAME: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl hexanoate
CAS Name: hexanoic acid 1-(1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl)ethyl ester
IUPAC NAME: 1-(1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl)ethyl hexanoate
SYSTEMATIC NAME: 1-(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethyl hexanoate
MOLECULAR FORMULA: C25H36O2
MOLECULAR WEIGHT: 368.55214
SMILES: CCCCCC(=O)OC(C)C1(C=CC(C=C1)C2=CC=CC=C2)CCCCC
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Product OPENEYE NAME: 1-(3-pentyl-4-phenyl-phenyl)ethanol
CAS Name: 1-(3-pentyl-4-phenylphenyl)ethanol
IUPAC NAME: 1-(3-pentyl-4-phenylphenyl)ethanol
SYSTEMATIC NAME: 1-(3-pentyl-4-phenyl-phenyl)ethanol
MOLECULAR FORMULA: C19H24O
MOLECULAR WEIGHT: 268.39326
SMILES: CCCCCC1=C(C=CC(=C1)C(C)O)C2=CC=CC=C2
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Product OPENEYE NAME: 1-(3-octoxy-4-phenyl-phenyl)ethyl hexanoate
CAS Name: hexanoic acid 1-(3-octoxy-4-phenylphenyl)ethyl ester
IUPAC NAME: 1-(3-octoxy-4-phenylphenyl)ethyl hexanoate
SYSTEMATIC NAME: 1-(3-octoxy-4-phenyl-phenyl)ethyl hexanoate
MOLECULAR FORMULA: C28H40O3
MOLECULAR WEIGHT: 424.6154
SMILES: CCCCCCCCOC1=C(C=CC(=C1)C(C)OC(=O)CCCCC)C2=CC=CC=C2
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Product OPENEYE NAME: 1-(2-heptoxyphenyl)ethanol
CAS Name: 1-(2-heptoxyphenyl)ethanol
IUPAC NAME: 1-(2-heptoxyphenyl)ethanol
SYSTEMATIC NAME: 1-(2-heptoxyphenyl)ethanol
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CCCCCCCOC1=CC=CC=C1C(C)O
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