Monday, August 8, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 8-methylquinoline
CAS Name: 8-methylquinoline
IUPAC NAME: 8-methylquinoline
SYSTEMATIC NAME: 8-methylquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC=CC2=C1N=CC=C2
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Product OPENEYE NAME: quinolin-5-amine
CAS Name: 5-quinolinamine
IUPAC NAME: quinolin-5-amine
SYSTEMATIC NAME: quinolin-5-amine
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: C1=CC2=C(C=CC=N2)C(=C1)N
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Product OPENEYE NAME: 7-[3-(dimethylamino)propoxy]-2-phenyl-chromen-4-one
CAS Name: 7-[3-(dimethylamino)propoxy]-2-phenyl-1-benzopyran-4-one
IUPAC NAME: 7-[3-(dimethylamino)propoxy]-2-phenylchromen-4-one
SYSTEMATIC NAME: 7-[3-(dimethylamino)propoxy]-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: CN(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: 9-methylacridine
CAS Name: 9-methylacridine
IUPAC NAME: 9-methylacridine
SYSTEMATIC NAME: 9-methylacridine
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: CC1=C2C=CC=CC2=NC3=CC=CC=C13
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Product OPENEYE NAME: (2R)-2-hydroxy-2-phenyl-acetic acid
CAS Name: (2R)-2-hydroxy-2-phenylacetic acid
IUPAC NAME: (2R)-2-hydroxy-2-phenylacetic acid
SYSTEMATIC NAME: (2R)-2-oxidanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1=CC=C(C=C1)[C@H](C(=O)O)O
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Product OPENEYE NAME: 2-oxo-2-phenyl-acetic acid
CAS Name: 2-oxo-2-phenylacetic acid
IUPAC NAME: 2-oxo-2-phenylacetic acid
SYSTEMATIC NAME: 2-oxidanylidene-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1=CC=C(C=C1)C(=O)C(=O)O
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Product OPENEYE NAME: N,N-dimethylbenzamide
CAS Name: N,N-dimethylbenzamide
IUPAC NAME: N,N-dimethylbenzamide
SYSTEMATIC NAME: N,N-dimethylbenzamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CN(C)C(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 1,3-dimethyl-1,3-diphenyl-urea
CAS Name: 1,3-dimethyl-1,3-diphenylurea
IUPAC NAME: 1,3-dimethyl-1,3-diphenylurea
SYSTEMATIC NAME: 1,3-dimethyl-1,3-diphenyl-urea
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CN(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2
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Product OPENEYE NAME: 1-phenylethylbenzene
CAS Name: 1-phenylethylbenzene
IUPAC NAME: 1-phenylethylbenzene
SYSTEMATIC NAME: 1-phenylethylbenzene
MOLECULAR FORMULA: C14H14
MOLECULAR WEIGHT: 182.26096
SMILES: CC(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 1,2-bis(chloromethyl)benzene
CAS Name: 1,2-bis(chloromethyl)benzene
IUPAC NAME: 1,2-bis(chloromethyl)benzene
SYSTEMATIC NAME: 1,2-bis(chloromethyl)benzene
MOLECULAR FORMULA: C8H8Cl2
MOLECULAR WEIGHT: 175.05512
SMILES: C1=CC=C(C(=C1)CCl)CCl
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Product OPENEYE NAME: 2-(hydroxymethyl)benzoic acid
CAS Name: 2-(hydroxymethyl)benzoic acid
IUPAC NAME: 2-(hydroxymethyl)benzoic acid
SYSTEMATIC NAME: 2-(hydroxymethyl)benzoic acid
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1=CC=C(C(=C1)CO)C(=O)O
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Product OPENEYE NAME: 1-(chloromethyl)-2-nitro-benzene
CAS Name: 1-(chloromethyl)-2-nitrobenzene
IUPAC NAME: 1-(chloromethyl)-2-nitrobenzene
SYSTEMATIC NAME: 1-(chloromethyl)-2-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: C1=CC=C(C(=C1)CCl)[N+](=O)[O-]
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Product OPENEYE NAME: 2-nitrobenzonitrile
CAS Name: 2-nitrobenzonitrile
IUPAC NAME: 2-nitrobenzonitrile
SYSTEMATIC NAME: 2-nitrobenzenecarbonitrile
MOLECULAR FORMULA: C7H4N2O2
MOLECULAR WEIGHT: 148.11886
SMILES: C1=CC=C(C(=C1)C#N)[N+](=O)[O-]
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Product OPENEYE NAME: (2-nitrophenyl)methanol
CAS Name: (2-nitrophenyl)methanol
IUPAC NAME: (2-nitrophenyl)methanol
SYSTEMATIC NAME: (2-nitrophenyl)methanol
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: C1=CC=C(C(=C1)CO)[N+](=O)[O-]
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Product OPENEYE NAME: 2-benzylbenzoic acid
CAS Name: 2-(phenylmethyl)benzoic acid
IUPAC NAME: 2-benzylbenzoic acid
SYSTEMATIC NAME: 2-(phenylmethyl)benzoic acid
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: 2-naphthylammonium chloride
CAS Name: 2-naphthalenylammonium chloride
IUPAC NAME: naphthalen-2-ylazanium chloride
SYSTEMATIC NAME: naphthalen-2-ylazanium chloride
MOLECULAR FORMULA: C10H10ClN
MOLECULAR WEIGHT: 179.6461
SMILES: C1=CC=C2C=C(C=CC2=C1)[NH3+].[Cl-]
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Product OPENEYE NAME: 3-methylquinoline
CAS Name: 3-methylquinoline
IUPAC NAME: 3-methylquinoline
SYSTEMATIC NAME: 3-methylquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC2=CC=CC=C2N=C1
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Product OPENEYE NAME: 7-methylquinoline
CAS Name: 7-methylquinoline
IUPAC NAME: 7-methylquinoline
SYSTEMATIC NAME: 7-methylquinoline
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: CC1=CC2=C(C=CC=N2)C=C1
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Product OPENEYE NAME: 2-chloroquinoline
CAS Name: 2-chloroquinoline
IUPAC NAME: 2-chloroquinoline
SYSTEMATIC NAME: 2-chloranylquinoline
MOLECULAR FORMULA: C9H6ClN
MOLECULAR WEIGHT: 163.60364
SMILES: C1=CC=C2C(=C1)C=CC(=N2)Cl
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Product OPENEYE NAME: N-ethyl-N-phenyl-nitrous amide
CAS Name: N-ethyl-N-phenylnitrous amide
IUPAC NAME: N-ethyl-N-phenylnitrous amide
SYSTEMATIC NAME: N-ethyl-N-phenyl-nitrous amide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CCN(C1=CC=CC=C1)N=O
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