Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]acetate
CAS Name: 2-[3-(11-cyclopropylundecylamino)phenyl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(11-cyclopropylundecylamino)phenyl]ethanoate
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCOC(=O)CC1=CC(=CC=C1)NCCCCCCCCCCCC2CC2
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Product OPENEYE NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
CAS Name: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
IUPAC NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]ethanone
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)C
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Product OPENEYE NAME: 3-(undec-10-enylamino)benzaldehyde
CAS Name: 3-(undec-10-enylamino)benzaldehyde
IUPAC NAME: 3-(undec-10-enylamino)benzaldehyde
SYSTEMATIC NAME: 3-(undec-10-enylamino)benzaldehyde
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: C=CCCCCCCCCCNC1=CC=CC(=C1)C=O
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Product OPENEYE NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[3-[[(E)-octadec-9-enyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C27H41NO2
MOLECULAR WEIGHT: 411.61994
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C#CC(=O)O
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Product OPENEYE NAME: 2,5-dimethylnon-1-ene
CAS Name: 2,5-dimethyl-1-nonene
IUPAC NAME: 2,5-dimethylnon-1-ene
SYSTEMATIC NAME: 2,5-dimethylnon-1-ene
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCCC(C)CCC(=C)C
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Product OPENEYE NAME: 2-[2-(6-methylenehexadecylamino)phenyl]butanoic acid
CAS Name: 2-[2-(6-methylenehexadecylamino)phenyl]butanoic acid
IUPAC NAME: 2-[2-(6-methylidenehexadecylamino)phenyl]butanoic acid
SYSTEMATIC NAME: 2-[2-(6-methylidenehexadecylamino)phenyl]butanoic acid
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1C(CC)C(=O)O
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Product OPENEYE NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
CAS Name: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
IUPAC NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-tetradec-4-enyl]amino]benzoic acid
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: benzyl N-(2-chlorocarbonylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
CAS Name: N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-(2-carbonochloridoylphenyl)-N-[(4E)-pentadeca-4,14-dienyl]carbamate
MOLECULAR FORMULA: C30H38ClNO3
MOLECULAR WEIGHT: 496.08062
SMILES: C=CCCCCCCCC/C=C/CCCN(C1=CC=CC=C1C(=O)Cl)C(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: (E)-3-[2-(allylamino)phenyl]prop-2-enoic acid
CAS Name: (E)-3-[2-(prop-2-enylamino)phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[2-(prop-2-enylamino)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2-(prop-2-enylamino)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: C=CCNC1=CC=CC=C1/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 3-[3-(allylamino)phenyl]-2,3-dibromo-propanoate
CAS Name: 2,3-dibromo-3-[3-(prop-2-enylamino)phenyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 2,3-dibromo-3-[3-(prop-2-enylamino)phenyl]propanoate
SYSTEMATIC NAME: ethyl 2,3-bis(bromanyl)-3-[3-(prop-2-enylamino)phenyl]propanoate
MOLECULAR FORMULA: C14H17Br2NO2
MOLECULAR WEIGHT: 391.09828
SMILES: CCOC(=O)C(C(C1=CC(=CC=C1)NCC=C)Br)Br
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Product OPENEYE NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
CAS Name: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
IUPAC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
SYSTEMATIC NAME: 2-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]butanoic acid
MOLECULAR FORMULA: C25H39NO2
MOLECULAR WEIGHT: 385.58266
SMILES: CCC(C1=CC=CC=C1NCCC/C=C/CCCCCCCCC=C)C(=O)O
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Product OPENEYE NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
CAS Name: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)/C=C/C(=O)O
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Product OPENEYE NAME: ethyl 2-[2-(allylamino)phenyl]butanoate
CAS Name: 2-[2-(prop-2-enylamino)phenyl]butanoic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(prop-2-enylamino)phenyl]butanoate
SYSTEMATIC NAME: ethyl 2-[2-(prop-2-enylamino)phenyl]butanoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCC(C1=CC=CC=C1NCC=C)C(=O)OCC
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Product OPENEYE NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
CAS Name: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
IUPAC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-[[(4E)-pentadeca-4,14-dienyl]amino]phenyl]propanoic acid
MOLECULAR FORMULA: C24H37NO2
MOLECULAR WEIGHT: 371.55608
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC=C1CCC(=O)O
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Product OPENEYE NAME: 2-(2-aminophenyl)acetyl chloride
CAS Name: 2-(2-aminophenyl)acetyl chloride
IUPAC NAME: 2-(2-aminophenyl)acetyl chloride
SYSTEMATIC NAME: 2-(2-aminophenyl)ethanoyl chloride
MOLECULAR FORMULA: C8H8ClNO
MOLECULAR WEIGHT: 169.60822
SMILES: C1=CC=C(C(=C1)CC(=O)Cl)N
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Product OPENEYE NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
CAS Name: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
IUPAC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[[(E)-tetradec-4-enyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C22H35NO2
MOLECULAR WEIGHT: 345.5188
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)CC(=O)O
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Product OPENEYE NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
CAS Name: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
IUPAC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
SYSTEMATIC NAME: 2-[[(E)-pentadec-4-enyl]amino]benzaldehyde
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: CCCCCCCCCC/C=C/CCCNC1=CC=CC=C1C=O
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