Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one
CAS Name: 1-(2,5,5-trimethyl-1-cyclopentenyl)-3-buten-2-one
IUPAC NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one
SYSTEMATIC NAME: 1-(2,5,5-trimethylcyclopenten-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1=C(C(CC1)(C)C)CC(=O)C=C
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Product OPENEYE NAME: tert-butyl-dimethyl-(3,5,5-trimethylcyclohex-3-en-1-yl)oxy-silane
CAS Name: tert-butyl-dimethyl-[(3,5,5-trimethyl-1-cyclohex-3-enyl)oxy]silane
IUPAC NAME: tert-butyl-dimethyl-(3,5,5-trimethylcyclohex-3-en-1-yl)oxysilane
SYSTEMATIC NAME: tert-butyl-dimethyl-(3,5,5-trimethylcyclohex-3-en-1-yl)oxy-silane
MOLECULAR FORMULA: C15H30OSi
MOLECULAR WEIGHT: 254.4836
SMILES: CC1=CC(CC(C1)O[Si](C)(C)C(C)(C)C)(C)C
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Product OPENEYE NAME: (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CAS Name: (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
IUPAC NAME: (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-[tert-butyl(dimethyl)silyl]oxy-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C19H34O2Si
MOLECULAR WEIGHT: 322.55756
SMILES: CC1=C(C(CCC1)(C)C)CC(=O)/C=C/O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: 3-methyl-2-methylimino-oxazolidin-4-one hydrochloride
CAS Name: 3-methyl-2-methylimino-4-oxazolidinone hydrochloride
IUPAC NAME: 3-methyl-2-methylimino-1,3-oxazolidin-4-one hydrochloride
SYSTEMATIC NAME: 3-methyl-2-methylimino-1,3-oxazolidin-4-one hydrochloride
MOLECULAR FORMULA: C5H9ClN2O2
MOLECULAR WEIGHT: 164.59016
SMILES: CN=C1N(C(=O)CO1)C.Cl
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Product OPENEYE NAME: 3-methyl-2-methylimino-oxazolidin-4-one
CAS Name: 3-methyl-2-methylimino-4-oxazolidinone
IUPAC NAME: 3-methyl-2-methylimino-1,3-oxazolidin-4-one
SYSTEMATIC NAME: 3-methyl-2-methylimino-1,3-oxazolidin-4-one
MOLECULAR FORMULA: C5H8N2O2
MOLECULAR WEIGHT: 128.12922
SMILES: CN=C1N(C(=O)CO1)C
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Product OPENEYE NAME: N-(methoxymethyl)-N-phenyl-butanamide
CAS Name: N-(methoxymethyl)-N-phenylbutanamide
IUPAC NAME: N-(methoxymethyl)-N-phenylbutanamide
SYSTEMATIC NAME: N-(methoxymethyl)-N-phenyl-butanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCCC(=O)N(COC)C1=CC=CC=C1
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Product OPENEYE NAME: N4,N4-bis(1,4-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,4-diamine
CAS Name: N4,N4-bis(1,4-dimethyl-1-cyclohexa-2,4-dienyl)benzene-1,4-diamine
IUPAC NAME: 4-N,4-N-bis(1,4-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-bis(1,4-dimethylcyclohexa-2,4-dien-1-yl)benzene-1,4-diamine
MOLECULAR FORMULA: C22H28N2
MOLECULAR WEIGHT: 320.47112
SMILES: CC1=CCC(C=C1)(C)N(C2=CC=C(C=C2)N)C3(CC=C(C=C3)C)C
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Product OPENEYE NAME: 5-amino-2,3-dihydrophthalazine-1,4-dione; 4-iodophenol
CAS Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 4-iodophenol
IUPAC NAME: 5-amino-2,3-dihydrophthalazine-1,4-dione; 4-iodophenol
SYSTEMATIC NAME: 5-azanyl-2,3-dihydrophthalazine-1,4-dione; 4-iodanylphenol
MOLECULAR FORMULA: C14H12IN3O3
MOLECULAR WEIGHT: 397.16785
SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O.C1=CC(=CC=C1O)I
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Product OPENEYE NAME: 5-(1-amino-2-cyclohexyl-ethyl)-3-isobutyl-3H-furan-2-one hydrochloride
CAS Name: 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)-3H-furan-2-one hydrochloride
IUPAC NAME: 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)-3H-furan-2-one hydrochloride
SYSTEMATIC NAME: 5-(1-azanyl-2-cyclohexyl-ethyl)-3-(2-methylpropyl)-3H-furan-2-one hydrochloride
MOLECULAR FORMULA: C16H28ClNO2
MOLECULAR WEIGHT: 301.85202
SMILES: CC(C)CC1C=C(OC1=O)C(CC2CCCCC2)N.Cl
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Product OPENEYE NAME: 5-(1-amino-2-cyclohexyl-ethyl)-3-isobutyl-3H-furan-2-one
CAS Name: 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)-3H-furan-2-one
IUPAC NAME: 5-(1-amino-2-cyclohexylethyl)-3-(2-methylpropyl)-3H-furan-2-one
SYSTEMATIC NAME: 5-(1-azanyl-2-cyclohexyl-ethyl)-3-(2-methylpropyl)-3H-furan-2-one
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CC(C)CC1C=C(OC1=O)C(CC2CCCCC2)N
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Product OPENEYE NAME: 1-(5-oxotetrahydrofuran-2-yl)ethyl N-tert-butyl-N-cyclohexyl-carbamate
CAS Name: N-tert-butyl-N-cyclohexylcarbamic acid 1-(5-oxo-2-oxolanyl)ethyl ester
IUPAC NAME: 1-(5-oxooxolan-2-yl)ethyl N-tert-butyl-N-cyclohexylcarbamate
SYSTEMATIC NAME: 1-(5-oxidanylideneoxolan-2-yl)ethyl N-tert-butyl-N-cyclohexyl-carbamate
MOLECULAR FORMULA: C17H29NO4
MOLECULAR WEIGHT: 311.41646
SMILES: CC(C1CCC(=O)O1)OC(=O)N(C2CCCCC2)C(C)(C)C
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Product OPENEYE NAME: 2-tetrahydropyran-2-yloxyhexanoate
CAS Name: 2-(2-oxanyloxy)hexanoate
IUPAC NAME: 2-(oxan-2-yloxy)hexanoate
SYSTEMATIC NAME: 2-(oxan-2-yloxy)hexanoate
MOLECULAR FORMULA: C11H19O4-
MOLECULAR WEIGHT: 215.26616
SMILES: CCCCC(C(=O)[O-])OC1CCCCO1
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Product OPENEYE NAME: 2-tetrahydropyran-2-yloxyhexanoic acid
CAS Name: 2-(2-oxanyloxy)hexanoic acid
IUPAC NAME: 2-(oxan-2-yloxy)hexanoic acid
SYSTEMATIC NAME: 2-(oxan-2-yloxy)hexanoic acid
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: CCCCC(C(=O)O)OC1CCCCO1
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Product OPENEYE NAME: [1-(4-benzyl-5-oxo-tetrahydrofuran-2-yl)-2-cyclohexyl-ethyl] carbamate
CAS Name: carbamic acid [2-cyclohexyl-1-[5-oxo-4-(phenylmethyl)-2-oxolanyl]ethyl] ester
IUPAC NAME: [1-(4-benzyl-5-oxooxolan-2-yl)-2-cyclohexylethyl] carbamate
SYSTEMATIC NAME: [2-cyclohexyl-1-[5-oxidanylidene-4-(phenylmethyl)oxolan-2-yl]ethyl] carbamate
MOLECULAR FORMULA: C20H27NO4
MOLECULAR WEIGHT: 345.43268
SMILES: C1CCC(CC1)CC(C2CC(C(=O)O2)CC3=CC=CC=C3)OC(=O)N
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Product OPENEYE NAME: 5-(tert-butoxycarbonylamino)-6-cyclohexyl-4-hydroxy-hex-2-ynoate
CAS Name: 6-cyclohexyl-4-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexynoate
IUPAC NAME: 6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynoate
SYSTEMATIC NAME: 6-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-hex-2-ynoate
MOLECULAR FORMULA: C17H26NO5-
MOLECULAR WEIGHT: 324.39204
SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C#CC(=O)[O-])O
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