Friday, July 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N,N-dimethyl-1-phenyl-methanamine
CAS Name: N,N-dimethyl-1-phenylmethanamine
IUPAC NAME: N,N-dimethyl-1-phenylmethanamine
SYSTEMATIC NAME: N,N-dimethyl-1-phenyl-methanamine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CN(C)CC1=CC=CC=C1
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Product OPENEYE NAME: N-(4-bromophenyl)acetamide
CAS Name: N-(4-bromophenyl)acetamide
IUPAC NAME: N-(4-bromophenyl)acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)ethanamide
MOLECULAR FORMULA: C8H8BrNO
MOLECULAR WEIGHT: 214.05922
SMILES: CC(=O)NC1=CC=C(C=C1)Br
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Product OPENEYE NAME: N-(p-tolyl)acetamide
CAS Name: N-(4-methylphenyl)acetamide
IUPAC NAME: N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=C(C=C1)NC(=O)C
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Product OPENEYE NAME: p-tolyl 2-methylpropanoate
CAS Name: 2-methylpropanoic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) 2-methylpropanoate
SYSTEMATIC NAME: (4-methylphenyl) 2-methylpropanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC=C(C=C1)OC(=O)C(C)C
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Product OPENEYE NAME: 2-(4-nitroanilino)-2-oxo-acetic acid
CAS Name: 2-(4-nitroanilino)-2-oxoacetic acid
IUPAC NAME: 2-(4-nitroanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C8H6N2O5
MOLECULAR WEIGHT: 210.14364
SMILES: C1=CC(=CC=C1NC(=O)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(4-isopropylphenyl)butanal
CAS Name: 3-(4-propan-2-ylphenyl)butanal
IUPAC NAME: 3-(4-propan-2-ylphenyl)butanal
SYSTEMATIC NAME: 3-(4-propan-2-ylphenyl)butanal
MOLECULAR FORMULA: C13H18O
MOLECULAR WEIGHT: 190.28142
SMILES: CC(C)C1=CC=C(C=C1)C(C)CC=O
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Product OPENEYE NAME: N1,N4-bis(1-methylheptyl)benzene-1,4-diamine
CAS Name: N1,N4-di(octan-2-yl)benzene-1,4-diamine
IUPAC NAME: 1-N,4-N-di(octan-2-yl)benzene-1,4-diamine
SYSTEMATIC NAME: N1,N4-di(octan-2-yl)benzene-1,4-diamine
MOLECULAR FORMULA: C22H40N2
MOLECULAR WEIGHT: 332.5664
SMILES: CCCCCCC(C)NC1=CC=C(C=C1)NC(C)CCCCCC
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Product OPENEYE NAME: N-(4-hydroxyphenyl)octadecanamide
CAS Name: N-(4-hydroxyphenyl)octadecanamide
IUPAC NAME: N-(4-hydroxyphenyl)octadecanamide
SYSTEMATIC NAME: N-(4-hydroxyphenyl)octadecanamide
MOLECULAR FORMULA: C24H41NO2
MOLECULAR WEIGHT: 375.58784
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)O
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Product OPENEYE NAME: 2-(4-methoxyphenyl)acetic acid
CAS Name: 2-(4-methoxyphenyl)acetic acid
IUPAC NAME: 2-(4-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-methoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: COC1=CC=C(C=C1)CC(=O)O
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