Saturday, October 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-amino-3-[(dimethylamino)methyl]-2-methyl-hept-5-ynoic acid
CAS Name: 2-amino-3-[(dimethylamino)methyl]-2-methyl-5-heptynoic acid
IUPAC NAME: 2-amino-3-[(dimethylamino)methyl]-2-methylhept-5-ynoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(dimethylamino)methyl]-2-methyl-hept-5-ynoic acid
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC#CCC(CN(C)C)C(C)(C(=O)O)N
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Product OPENEYE NAME: ammonia; 2-methylpent-3-yn-2-amine; dihydrochloride
CAS Name: ammonia; 2-methyl-3-pentyn-2-amine; dihydrochloride
IUPAC NAME: azane; 2-methylpent-3-yn-2-amine; dihydrochloride
SYSTEMATIC NAME: azane; 2-methylpent-3-yn-2-amine; dihydrochloride
MOLECULAR FORMULA: C6H16Cl2N2
MOLECULAR WEIGHT: 187.11064
SMILES: CC#CC(C)(C)N.N.Cl.Cl
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Product OPENEYE NAME: 1-[tert-butyl(dimethyl)silyl]oxy-5-pyrrolidin-1-yl-pent-3-yn-2-amine
CAS Name: 1-[tert-butyl(dimethyl)silyl]oxy-5-(1-pyrrolidinyl)-3-pentyn-2-amine
IUPAC NAME: 1-[tert-butyl(dimethyl)silyl]oxy-5-pyrrolidin-1-ylpent-3-yn-2-amine
SYSTEMATIC NAME: 1-[tert-butyl(dimethyl)silyl]oxy-5-pyrrolidin-1-yl-pent-3-yn-2-amine
MOLECULAR FORMULA: C15H30N2OSi
MOLECULAR WEIGHT: 282.497
SMILES: CC(C)(C)[Si](C)(C)OCC(C#CCN1CCCC1)N
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Product OPENEYE NAME: 1-but-2-ynyl-4-(diethylamino)-3-methyl-pyrrolidin-2-one
CAS Name: 1-but-2-ynyl-4-(diethylamino)-3-methyl-2-pyrrolidinone
IUPAC NAME: 1-but-2-ynyl-4-(diethylamino)-3-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-but-2-ynyl-4-(diethylamino)-3-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C13H22N2O
MOLECULAR WEIGHT: 222.32658
SMILES: CCN(CC)C1CN(C(=O)C1C)CC#CC
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Product OPENEYE NAME: 1-but-2-ynyl-4-(dimethylamino)-3-hydroxy-3-methyl-pyrrolidin-2-one
CAS Name: 1-but-2-ynyl-4-(dimethylamino)-3-hydroxy-3-methyl-2-pyrrolidinone
IUPAC NAME: 1-but-2-ynyl-4-(dimethylamino)-3-hydroxy-3-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-but-2-ynyl-4-(dimethylamino)-3-methyl-3-oxidanyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: CC#CCN1CC(C(C1=O)(C)O)N(C)C
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Product OPENEYE NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-methyl-3-pyrrolidin-1-yl-pyrrolidin-2-one
CAS Name: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-methyl-3-(1-pyrrolidinyl)-2-pyrrolidinone
IUPAC NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-methyl-3-pyrrolidin-1-ylpyrrolidin-2-one
SYSTEMATIC NAME: 4-[tert-butyl(dimethyl)silyl]oxy-1-but-2-ynyl-3-methyl-3-pyrrolidin-1-yl-pyrrolidin-2-one
MOLECULAR FORMULA: C19H34N2O2Si
MOLECULAR WEIGHT: 350.57096
SMILES: CC#CCN1CC(C(C1=O)(C)N2CCCC2)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: methyl 3-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[5-fluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-fluoranyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H20FN3O2
MOLECULAR WEIGHT: 377.411503
SMILES: CC1=C(N(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: methyl 4-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]butanoate
CAS Name: 4-[5-fluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]butanoate
SYSTEMATIC NAME: methyl 4-[5-fluoranyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]butanoate
MOLECULAR FORMULA: C23H22FN3O2
MOLECULAR WEIGHT: 391.438083
SMILES: CC1=C(N(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)N4C=CN=C4)CCCC(=O)OC
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Product OPENEYE NAME: methyl 3-[5-fluoro-1-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[5-fluoro-1-[4-(1-imidazolylmethyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-fluoro-1-[4-(imidazol-1-ylmethyl)phenyl]-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-fluoranyl-1-[4-(imidazol-1-ylmethyl)phenyl]-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C23H22FN3O2
MOLECULAR WEIGHT: 391.438083
SMILES: CC1=C(N(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)CN4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[5-bromo-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[5-bromo-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-bromo-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-bromanyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H20BrN3O2
MOLECULAR WEIGHT: 438.3171
SMILES: CC1=C(N(C2=C1C=C(C=C2)Br)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[5,7-difluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[5,7-difluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5,7-difluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5,7-bis(fluoranyl)-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H19F2N3O2
MOLECULAR WEIGHT: 395.401966
SMILES: CC1=C(N(C2=C(C=C(C=C12)F)F)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H21N3O2
MOLECULAR WEIGHT: 359.42104
SMILES: CC1=C(N(C2=CC=CC=C12)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: 3-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]-N-methyl-propanamide
CAS Name: 3-[5-fluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]-N-methylpropanamide
IUPAC NAME: 3-[5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]-N-methylpropanamide
SYSTEMATIC NAME: 3-[5-fluoranyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C22H21FN4O
MOLECULAR WEIGHT: 376.426743
SMILES: CC1=C(N(C2=C1C=C(C=C2)F)C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)NC
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Product OPENEYE NAME: methyl 3-[5-fluoro-1-(3-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[5-fluoro-1-[3-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-fluoro-1-(3-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-fluoranyl-1-(3-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H20FN3O2
MOLECULAR WEIGHT: 377.411503
SMILES: CC1=C(N(C2=C1C=C(C=C2)F)C3=CC=CC(=C3)N4C=CN=C4)CCC(=O)OC
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Product OPENEYE NAME: methyl 4-[4-ethyl-5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]butanoate
CAS Name: 4-[4-ethyl-5-fluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-[4-ethyl-5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]butanoate
SYSTEMATIC NAME: methyl 4-[4-ethyl-5-fluoranyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]butanoate
MOLECULAR FORMULA: C25H26FN3O2
MOLECULAR WEIGHT: 419.491243
SMILES: CCC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)N4C=CN=C4)CCCC(=O)OC)C)F
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Product OPENEYE NAME: methyl 3-[4-ethyl-5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[4-ethyl-5-fluoro-1-[4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[4-ethyl-5-fluoro-1-(4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[4-ethyl-5-fluoranyl-1-(4-imidazol-1-ylphenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C24H24FN3O2
MOLECULAR WEIGHT: 405.464663
SMILES: CCC1=C(C=CC2=C1C(=C(N2C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)OC)C)F
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Product OPENEYE NAME: methyl 3-[1-(3-fluoro-4-imidazol-1-yl-phenyl)-3-methyl-indol-2-yl]propanoate
CAS Name: 3-[1-[3-fluoro-4-(1-imidazolyl)phenyl]-3-methyl-2-indolyl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[1-(3-fluoro-4-imidazol-1-ylphenyl)-3-methylindol-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[1-(3-fluoranyl-4-imidazol-1-yl-phenyl)-3-methyl-indol-2-yl]propanoate
MOLECULAR FORMULA: C22H20FN3O2
MOLECULAR WEIGHT: 377.411503
SMILES: CC1=C(N(C2=CC=CC=C12)C3=CC(=C(C=C3)N4C=CN=C4)F)CCC(=O)OC
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Product OPENEYE NAME: ethyl (2Z,4E,6E,8E)-3,7-dimethyl-5-nonoxy-9-(2-thienyl)nona-2,4,6,8-tetraenoate
CAS Name: (2Z,4E,6E,8E)-3,7-dimethyl-5-nonoxy-9-thiophen-2-ylnona-2,4,6,8-tetraenoic acid ethyl ester
IUPAC NAME: ethyl (2Z,4E,6E,8E)-3,7-dimethyl-5-nonoxy-9-thiophen-2-ylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2Z,4E,6E,8E)-3,7-dimethyl-5-nonoxy-9-thiophen-2-yl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C26H38O3S
MOLECULAR WEIGHT: 430.64312
SMILES: CCCCCCCCCO/C(=C/C(=C\C(=O)OCC)/C)/C=C(\C)/C=C/C1=CC=CS1
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Product OPENEYE NAME: 3-bromo-4-nonoxy-thiophene
CAS Name: 3-bromo-4-nonoxythiophene
IUPAC NAME: 3-bromo-4-nonoxythiophene
SYSTEMATIC NAME: 3-bromanyl-4-nonoxy-thiophene
MOLECULAR FORMULA: C13H21BrOS
MOLECULAR WEIGHT: 305.27424
SMILES: CCCCCCCCCOC1=CSC=C1Br
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Product OPENEYE NAME: 5-nonoxythiophene-2-carbaldehyde
CAS Name: 5-nonoxy-2-thiophenecarboxaldehyde
IUPAC NAME: 5-nonoxythiophene-2-carbaldehyde
SYSTEMATIC NAME: 5-nonoxythiophene-2-carbaldehyde
MOLECULAR FORMULA: C14H22O2S
MOLECULAR WEIGHT: 254.38828
SMILES: CCCCCCCCCOC1=CC=C(S1)C=O
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Product OPENEYE NAME: (3-nonoxy-2-thienyl)methanol
CAS Name: (3-nonoxy-2-thiophenyl)methanol
IUPAC NAME: (3-nonoxythiophen-2-yl)methanol
SYSTEMATIC NAME: (3-nonoxythiophen-2-yl)methanol
MOLECULAR FORMULA: C14H24O2S
MOLECULAR WEIGHT: 256.40416
SMILES: CCCCCCCCCOC1=C(SC=C1)CO
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