Thursday, July 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
CAS Name: N,N-dimethylcarbamic acid (1-methyl-3-pyridin-1-iumyl) ester bromide
IUPAC NAME: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
SYSTEMATIC NAME: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
MOLECULAR FORMULA: C9H13BrN2O2
MOLECULAR WEIGHT: 261.11572
SMILES: C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]
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Product OPENEYE NAME: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
CAS Name: N-(3-chlorophenyl)carbamic acid 4-chlorobut-2-ynyl ester
IUPAC NAME: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 4-chloranylbut-2-ynyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C11H9Cl2NO2
MOLECULAR WEIGHT: 258.10066
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl
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Product OPENEYE NAME: 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CAS Name: 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: COC1=CC(=CC(=C1OC)OC)CC2=NCCN2
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Product OPENEYE NAME: 2-[benzyl(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[2-hydroxyethyl-(phenylmethyl)amino]ethanol
IUPAC NAME: 2-[benzyl(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl-(phenylmethyl)amino]ethanol
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: C1=CC=C(C=C1)CN(CCO)CCO
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Product OPENEYE NAME: 1,1,3-triethoxyhexane
CAS Name: 1,1,3-triethoxyhexane
IUPAC NAME: 1,1,3-triethoxyhexane
SYSTEMATIC NAME: 1,1,3-triethoxyhexane
MOLECULAR FORMULA: C12H26O3
MOLECULAR WEIGHT: 218.33304
SMILES: CCCC(CC(OCC)OCC)OCC
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Product OPENEYE NAME: 2,4,6-triallyloxy-1,3,5-triazine
CAS Name: 2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
IUPAC NAME: 2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
SYSTEMATIC NAME: 2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: C=CCOC1=NC(=NC(=N1)OCC=C)OCC=C
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Product OPENEYE NAME: 2,6-dichloro-4-chloroimino-cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-chloroimino-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-chloranylimino-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C6H2Cl3NO
MOLECULAR WEIGHT: 210.44518
SMILES: C1=C(C(=O)C(=CC1=NCl)Cl)Cl
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Product OPENEYE NAME: 2-methyl-3-phenyl-prop-2-enal
CAS Name: 2-methyl-3-phenyl-2-propenal
IUPAC NAME: 2-methyl-3-phenylprop-2-enal
SYSTEMATIC NAME: 2-methyl-3-phenyl-prop-2-enal
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC(=CC1=CC=CC=C1)C=O
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Product OPENEYE NAME: 1-cyclohexyl-N-methyl-propan-2-amine
CAS Name: 1-cyclohexyl-N-methyl-2-propanamine
IUPAC NAME: 1-cyclohexyl-N-methylpropan-2-amine
SYSTEMATIC NAME: 1-cyclohexyl-N-methyl-propan-2-amine
MOLECULAR FORMULA: C10H21N
MOLECULAR WEIGHT: 155.28044
SMILES: CC(CC1CCCCC1)NC
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Product OPENEYE NAME: methyl 2-phenylacetate
CAS Name: 2-phenylacetic acid methyl ester
IUPAC NAME: methyl 2-phenylacetate
SYSTEMATIC NAME: methyl 2-phenylethanoate
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: COC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 1,1-dimethyl-3-phenyl-urea
CAS Name: 1,1-dimethyl-3-phenylurea
IUPAC NAME: 1,1-dimethyl-3-phenylurea
SYSTEMATIC NAME: 1,1-dimethyl-3-phenyl-urea
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CN(C)C(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: cyclohexyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 2-methylprop-2-enoate
SYSTEMATIC NAME: cyclohexyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(=C)C(=O)OC1CCCCC1
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