Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
CAS Name: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
IUPAC NAME: 3-[[(E)-octadec-9-enyl]amino]benzonitrile
SYSTEMATIC NAME: 3-[[(E)-octadec-9-enyl]amino]benzenecarbonitrile
MOLECULAR FORMULA: C25H40N2
MOLECULAR WEIGHT: 368.5985
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C#N
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Product OPENEYE NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
CAS Name: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
IUPAC NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[[(E)-octadec-9-enyl]amino]phenyl]ethanone
MOLECULAR FORMULA: C26H43NO
MOLECULAR WEIGHT: 385.62572
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC(=C1)C(=O)C
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Product OPENEYE NAME: (E)-3-[4-(1-methylbutylamino)phenyl]prop-2-enoate
CAS Name: (E)-3-[4-(pentan-2-ylamino)phenyl]-2-propenoate
IUPAC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoate
SYSTEMATIC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoate
MOLECULAR FORMULA: C14H18NO2-
MOLECULAR WEIGHT: 232.29822
SMILES: CCCC(C)NC1=CC=C(C=C1)/C=C/C(=O)[O-]
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Product OPENEYE NAME: (E)-3-[4-(1-methylbutylamino)phenyl]prop-2-enoic acid
CAS Name: (E)-3-[4-(pentan-2-ylamino)phenyl]-2-propenoic acid
IUPAC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-(pentan-2-ylamino)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCCC(C)NC1=CC=C(C=C1)/C=C/C(=O)O
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Product OPENEYE NAME: 3-[2-(allylamino)phenyl]propanoic acid
CAS Name: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
IUPAC NAME: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-(prop-2-enylamino)phenyl]propanoic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C=CCNC1=CC=CC=C1CCC(=O)O
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Product OPENEYE NAME: methyl 3-(allylamino)benzoate
CAS Name: 3-(prop-2-enylamino)benzoic acid methyl ester
IUPAC NAME: methyl 3-(prop-2-enylamino)benzoate
SYSTEMATIC NAME: methyl 3-(prop-2-enylamino)benzoate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: COC(=O)C1=CC(=CC=C1)NCC=C
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Product OPENEYE NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
CAS Name: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]-2-propynoic acid
IUPAC NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
SYSTEMATIC NAME: 3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]prop-2-ynoic acid
MOLECULAR FORMULA: C23H33NO2
MOLECULAR WEIGHT: 355.51362
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C#CC(=O)O
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Product OPENEYE NAME: ethanamine; ethanol
CAS Name: ethanamine; ethanol
IUPAC NAME: ethanamine; ethanol
SYSTEMATIC NAME: ethanamine; ethanol
MOLECULAR FORMULA: C6H19NO2
MOLECULAR WEIGHT: 137.22056
SMILES: CCN.CCO.CCO
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Product OPENEYE NAME: (3Z)-deca-1,3-dien-3-ol
CAS Name: (3Z)-3-deca-1,3-dienol
IUPAC NAME: (3Z)-deca-1,3-dien-3-ol
SYSTEMATIC NAME: (3Z)-deca-1,3-dien-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCCC/C=C(/C=C)\O
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Product OPENEYE NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
CAS Name: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
IUPAC NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[[(E)-octadec-9-enyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C26H43NO2
MOLECULAR WEIGHT: 401.62512
SMILES: CCCCCCCC/C=C/CCCCCCCCNC1=CC=CC=C1CC(=O)O
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Product OPENEYE NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
CAS Name: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
IUPAC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(E)-tetradec-4-enyl]amino]benzoic acid
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)O
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Product OPENEYE NAME: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
CAS Name: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
IUPAC NAME: N-(3-bromopropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
SYSTEMATIC NAME: N-(3-bromanylpropyl)-2-[[(E)-tetradec-4-enyl]amino]benzamide
MOLECULAR FORMULA: C24H39BrN2O
MOLECULAR WEIGHT: 451.48326
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC=C1C(=O)NCCCBr
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Product OPENEYE NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
CAS Name: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
IUPAC NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
SYSTEMATIC NAME: 3-(5,6-dihydro-4H-1,3-oxazin-2-yl)-N-[(E)-tetradec-4-enyl]aniline
MOLECULAR FORMULA: C24H38N2O
MOLECULAR WEIGHT: 370.57132
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C2=NCCCO2
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Product OPENEYE NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
CAS Name: methanesulfonic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester
IUPAC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
SYSTEMATIC NAME: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] methanesulfonate
MOLECULAR FORMULA: C16H28O3S
MOLECULAR WEIGHT: 300.45672
SMILES: CC(=CCC/C(=C/CC/C(=C/COS(=O)(=O)C)/C)/C)C
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Product OPENEYE NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
CAS Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propanoic acid
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCCC(C1CC1C)NC2=CC=CC(=C2)CCC(=O)O
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Product OPENEYE NAME: (4E)-pentadeca-4,14-dienal
CAS Name: (4E)-pentadeca-4,14-dienal
IUPAC NAME: (4E)-pentadeca-4,14-dienal
SYSTEMATIC NAME: (4E)-pentadeca-4,14-dienal
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: C=CCCCCCCCC/C=C/CCC=O
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Product OPENEYE NAME: octadec-12-yn-1-ol
CAS Name: 12-octadecyn-1-ol
IUPAC NAME: octadec-12-yn-1-ol
SYSTEMATIC NAME: octadec-12-yn-1-ol
MOLECULAR FORMULA: C18H34O
MOLECULAR WEIGHT: 266.46196
SMILES: CCCCCC#CCCCCCCCCCCCO
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Product OPENEYE NAME: 3-[3-(allylamino)phenyl]propanoyl chloride hydrochloride
CAS Name: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
IUPAC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
SYSTEMATIC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride hydrochloride
MOLECULAR FORMULA: C12H15Cl2NO
MOLECULAR WEIGHT: 260.1596
SMILES: C=CCNC1=CC=CC(=C1)CCC(=O)Cl.Cl
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Product OPENEYE NAME: 3-[3-(allylamino)phenyl]propanoyl chloride
CAS Name: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
IUPAC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
SYSTEMATIC NAME: 3-[3-(prop-2-enylamino)phenyl]propanoyl chloride
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: C=CCNC1=CC=CC(=C1)CCC(=O)Cl
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