Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
CAS Name: 1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
IUPAC NAME: 1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
SYSTEMATIC NAME: 1,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1C2=C(CCN1C)C=C(C=C2)O
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Product OPENEYE NAME: 1,2,3,4-tetrahydroisoquinolin-8-ol
CAS Name: 1,2,3,4-tetrahydroisoquinolin-8-ol
IUPAC NAME: 1,2,3,4-tetrahydroisoquinolin-8-ol
SYSTEMATIC NAME: 1,2,3,4-tetrahydroisoquinolin-8-ol
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1CNCC2=C1C=CC=C2O
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Product OPENEYE NAME: 1-isopropyl-2,2-dimethyl-5-methylene-imidazole
CAS Name: 2,2-dimethyl-5-methylene-1-propan-2-ylimidazole
IUPAC NAME: 2,2-dimethyl-5-methylidene-1-propan-2-ylimidazole
SYSTEMATIC NAME: 2,2-dimethyl-5-methylidene-1-propan-2-yl-imidazole
MOLECULAR FORMULA: C9H16N2
MOLECULAR WEIGHT: 152.23674
SMILES: CC(C)N1C(=C)C=NC1(C)C
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Product OPENEYE NAME: 1-(1-isopropyl-2,3,3-trimethyl-aziridin-2-yl)ethanone
CAS Name: 1-(2,3,3-trimethyl-1-propan-2-yl-2-aziridinyl)ethanone
IUPAC NAME: 1-(2,3,3-trimethyl-1-propan-2-ylaziridin-2-yl)ethanone
SYSTEMATIC NAME: 1-(2,3,3-trimethyl-1-propan-2-yl-aziridin-2-yl)ethanone
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: CC(C)N1C(C1(C)C(=O)C)(C)C
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Product OPENEYE NAME: 1-isopropyl-2,3,5-trimethyl-pyrrole
CAS Name: 2,3,5-trimethyl-1-propan-2-ylpyrrole
IUPAC NAME: 2,3,5-trimethyl-1-propan-2-ylpyrrole
SYSTEMATIC NAME: 2,3,5-trimethyl-1-propan-2-yl-pyrrole
MOLECULAR FORMULA: C10H17N
MOLECULAR WEIGHT: 151.24868
SMILES: CC1=CC(=C(N1C(C)C)C)C
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Product OPENEYE NAME: 3-chloro-4,5-dimethyl-benzene-1,2-diol
CAS Name: 3-chloro-4,5-dimethylbenzene-1,2-diol
IUPAC NAME: 3-chloro-4,5-dimethylbenzene-1,2-diol
SYSTEMATIC NAME: 3-chloranyl-4,5-dimethyl-benzene-1,2-diol
MOLECULAR FORMULA: C8H9ClO2
MOLECULAR WEIGHT: 172.60886
SMILES: CC1=CC(=C(C(=C1C)Cl)O)O
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Product OPENEYE NAME: 2-iodo-4,5-dimethyl-phenol
CAS Name: 2-iodo-4,5-dimethylphenol
IUPAC NAME: 2-iodo-4,5-dimethylphenol
SYSTEMATIC NAME: 2-iodanyl-4,5-dimethyl-phenol
MOLECULAR FORMULA: C8H9IO
MOLECULAR WEIGHT: 248.06093
SMILES: CC1=CC(=C(C=C1C)I)O
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Product OPENEYE NAME: methyl 3,3-dimethylcyclobutene-1-carboxylate
CAS Name: 3,3-dimethyl-1-cyclobutenecarboxylic acid methyl ester
IUPAC NAME: methyl 3,3-dimethylcyclobutene-1-carboxylate
SYSTEMATIC NAME: methyl 3,3-dimethylcyclobutene-1-carboxylate
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1(CC(=C1)C(=O)OC)C
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Product OPENEYE NAME: 1,1,2,3-tetramethylcyclobutane
CAS Name: 1,1,2,3-tetramethylcyclobutane
IUPAC NAME: 1,1,2,3-tetramethylcyclobutane
SYSTEMATIC NAME: 1,1,2,3-tetramethylcyclobutane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC1CC(C1C)(C)C
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Product OPENEYE NAME: N-propyl-N-trimethylsilyl-propan-1-amine
CAS Name: N-propyl-N-trimethylsilyl-1-propanamine
IUPAC NAME: N-propyl-N-trimethylsilylpropan-1-amine
SYSTEMATIC NAME: N-propyl-N-trimethylsilyl-propan-1-amine
MOLECULAR FORMULA: C9H23NSi
MOLECULAR WEIGHT: 173.37112
SMILES: CCCN(CCC)[Si](C)(C)C
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Product OPENEYE NAME: N-isopropyl-N-(trimethylsilylmethylenephosphanyl)propan-2-amine
CAS Name: N-propan-2-yl-N-(trimethylsilylmethylidenephosphinyl)-2-propanamine
IUPAC NAME: N-propan-2-yl-N-(trimethylsilylmethylidenephosphanyl)propan-2-amine
SYSTEMATIC NAME: N-propan-2-yl-N-(trimethylsilylmethylidenephosphanyl)propan-2-amine
MOLECULAR FORMULA: C10H24NPSi
MOLECULAR WEIGHT: 217.363521
SMILES: CC(C)N(C(C)C)P=C[Si](C)(C)C
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Product OPENEYE NAME: 5-benzyl-2-isopropyl-3,6-dimethoxy-5-methyl-2H-pyrazine
CAS Name: 3,6-dimethoxy-5-methyl-5-(phenylmethyl)-2-propan-2-yl-2H-pyrazine
IUPAC NAME: 5-benzyl-3,6-dimethoxy-5-methyl-2-propan-2-yl-2H-pyrazine
SYSTEMATIC NAME: 3,6-dimethoxy-5-methyl-5-(phenylmethyl)-2-propan-2-yl-2H-pyrazine
MOLECULAR FORMULA: C17H24N2O2
MOLECULAR WEIGHT: 288.38466
SMILES: CC(C)C1C(=NC(C(=N1)OC)(C)CC2=CC=CC=C2)OC
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Product OPENEYE NAME: methyl (E)-2-amino-5-phenyl-pent-4-enoate
CAS Name: (E)-2-amino-5-phenyl-4-pentenoic acid methyl ester
IUPAC NAME: methyl (E)-2-amino-5-phenylpent-4-enoate
SYSTEMATIC NAME: methyl (E)-2-azanyl-5-phenyl-pent-4-enoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: COC(=O)C(C/C=C/C1=CC=CC=C1)N
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Product OPENEYE NAME: methyl (2S)-2-amino-3-benzyloxy-propanoate
CAS Name: (2S)-2-amino-3-phenylmethoxypropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-amino-3-phenylmethoxypropanoate
SYSTEMATIC NAME: methyl (2S)-2-azanyl-3-phenylmethoxy-propanoate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: COC(=O)[C@H](COCC1=CC=CC=C1)N
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Product OPENEYE NAME: methyl 2-amino-3,3-dimethyl-butanoate hydrochloride
CAS Name: 2-amino-3,3-dimethylbutanoic acid methyl ester hydrochloride
IUPAC NAME: methyl 2-amino-3,3-dimethylbutanoate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-3,3-dimethyl-butanoate hydrochloride
MOLECULAR FORMULA: C7H16ClNO2
MOLECULAR WEIGHT: 181.66044
SMILES: CC(C)(C)C(C(=O)OC)N.Cl
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Product OPENEYE NAME: methyl 2-amino-3-phenyl-but-3-enoate
CAS Name: 2-amino-3-phenyl-3-butenoic acid methyl ester
IUPAC NAME: methyl 2-amino-3-phenylbut-3-enoate
SYSTEMATIC NAME: methyl 2-azanyl-3-phenyl-but-3-enoate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: COC(=O)C(C(=C)C1=CC=CC=C1)N
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