Tuesday, July 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[2,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfinylethanol
CAS Name: 2-[[2,4-bis(4-methoxyphenyl)-2-imidazolyl]sulfinyl]ethanol
IUPAC NAME: 2-[2,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfinylethanol
SYSTEMATIC NAME: 2-[2,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfinylethanol
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: COC1=CC=C(C=C1)C2=NC(N=C2)(C3=CC=C(C=C3)OC)S(=O)CCO
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Product OPENEYE NAME: (E)-3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]prop-2-en-1-ol
CAS Name: (E)-3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]-2-propen-1-ol
IUPAC NAME: (E)-3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]prop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]prop-2-en-1-ol
MOLECULAR FORMULA: C20H20N2O3S
MOLECULAR WEIGHT: 368.4494
SMILES: COC1=CC=C(C=C1)C2=C(N=C(N2)S/C=C/CO)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl 7-chloro-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylate
CAS Name: 7-chloro-2-(2-ethoxy-2-oxoethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-chloro-2-(2-ethoxy-2-oxoethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylate
SYSTEMATIC NAME: ethyl 7-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-10-oxidanylidene-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylate
MOLECULAR FORMULA: C21H22ClNO5
MOLECULAR WEIGHT: 403.85608
SMILES: CCOC(=O)CC1=C(CC2=C(C1C)C3=C(N2)C=C(C=CC3=O)Cl)C(=O)OCC
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Product OPENEYE NAME: 7-chloro-1,2-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
CAS Name: 7-chloro-1,2-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
IUPAC NAME: 7-chloro-1,2-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
SYSTEMATIC NAME: 7-chloranyl-1,2-dimethyl-4H-[1]benzoxepino[4,3-b]pyrrol-10-one
MOLECULAR FORMULA: C14H12ClNO2
MOLECULAR WEIGHT: 261.70358
SMILES: CC1=CC2=C(N1C)C(=O)C3=C(C=C(C=C3)Cl)OC2
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Product OPENEYE NAME: ethyl 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetate
CAS Name: 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(7-chloranyl-1-methyl-10-oxidanylidene-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)ethanoate
MOLECULAR FORMULA: C17H16ClNO3S
MOLECULAR WEIGHT: 349.83184
SMILES: CCOC(=O)CC1=CC2=C(N1C)C(=O)C3=C(C=C(C=C3)Cl)SC2
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Product OPENEYE NAME: ethyl 3-[(3-chlorophenoxy)methyl]-5-(2-ethoxy-2-oxo-acetyl)-1-methyl-pyrrole-2-carboxylate
CAS Name: 3-[(3-chlorophenoxy)methyl]-5-(2-ethoxy-1,2-dioxoethyl)-1-methyl-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-[(3-chlorophenoxy)methyl]-5-(2-ethoxy-2-oxoacetyl)-1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-[(3-chloranylphenoxy)methyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C19H20ClNO6
MOLECULAR WEIGHT: 393.8182
SMILES: CCOC(=O)C1=C(C=C(N1C)C(=O)C(=O)OCC)COC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxo-acetyl)-1-methyl-pyrrole-2-carboxylic acid
CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-5-(2-ethoxy-1,2-dioxoethyl)-1-methyl-2-pyrrolecarboxylic acid
IUPAC NAME: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxoacetyl)-1-methylpyrrole-2-carboxylic acid
SYSTEMATIC NAME: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1-methyl-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C17H16ClNO5S
MOLECULAR WEIGHT: 381.83064
SMILES: CCOC(=O)C(=O)C1=CC(=C(N1C)C(=O)O)CSC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 1-methyl-3-[1-[1-(m-tolyl)prop-2-ynoxy]prop-2-ynyl]benzene
CAS Name: 1-methyl-3-[1-[1-(3-methylphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
IUPAC NAME: 1-methyl-3-[1-[1-(3-methylphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
SYSTEMATIC NAME: 1-methyl-3-[1-[1-(3-methylphenyl)prop-2-ynoxy]prop-2-ynyl]benzene
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: CC1=CC(=CC=C1)C(C#C)OC(C#C)C2=CC=CC(=C2)C
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Product OPENEYE NAME: ethyl 5-(2-ethoxy-2-oxo-acetyl)-1,3-dimethyl-pyrrole-2-carboxylate
CAS Name: 5-(2-ethoxy-1,2-dioxoethyl)-1,3-dimethyl-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(2-ethoxy-2-oxoacetyl)-1,3-dimethylpyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-(2-ethoxy-2-oxidanylidene-ethanoyl)-1,3-dimethyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CCOC(=O)C1=C(C=C(N1C)C(=O)C(=O)OCC)C
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Product OPENEYE NAME: ethyl 2-(5-chlorocarbonyl-1,4-dimethyl-pyrrol-2-yl)acetate
CAS Name: 2-(5-carbonochloridoyl-1,4-dimethyl-2-pyrrolyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(5-carbonochloridoyl-1,4-dimethylpyrrol-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(5-carbonochloridoyl-1,4-dimethyl-pyrrol-2-yl)ethanoate
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: CCOC(=O)CC1=CC(=C(N1C)C(=O)Cl)C
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Product OPENEYE NAME: 7-chloro-2-(2-ethoxy-2-oxo-ethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylic acid
CAS Name: 7-chloro-2-(2-ethoxy-2-oxoethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylic acid
IUPAC NAME: 7-chloro-2-(2-ethoxy-2-oxoethyl)-1-methyl-10-oxo-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-10-oxidanylidene-4,5-dihydro-1H-cyclohepta[b]indole-3-carboxylic acid
MOLECULAR FORMULA: C19H18ClNO5
MOLECULAR WEIGHT: 375.80292
SMILES: CCOC(=O)CC1=C(CC2=C(C1C)C3=C(N2)C=C(C=CC3=O)Cl)C(=O)O
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Product OPENEYE NAME: ethyl 5-(3-methylphenoxy)-2,4-dioxo-pentanoate
CAS Name: 5-(3-methylphenoxy)-2,4-dioxopentanoic acid ethyl ester
IUPAC NAME: ethyl 5-(3-methylphenoxy)-2,4-dioxopentanoate
SYSTEMATIC NAME: ethyl 5-(3-methylphenoxy)-2,4-bis(oxidanylidene)pentanoate
MOLECULAR FORMULA: C14H16O5
MOLECULAR WEIGHT: 264.27384
SMILES: CCOC(=O)C(=O)CC(=O)COC1=CC=CC(=C1)C
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Product OPENEYE NAME: ethyl 5-(hydroxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2-carboxylate
CAS Name: 5-(hydroxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]-2-pyrrolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(hydroxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-(hydroxymethyl)-1-methyl-3-[(3-methylphenoxy)methyl]pyrrole-2-carboxylate
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CCOC(=O)C1=C(C=C(N1C)CO)COC2=CC=CC(=C2)C
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Product OPENEYE NAME: benzyl 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetate
CAS Name: 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-(1,7-dimethyl-10-oxo-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)acetate
SYSTEMATIC NAME: (phenylmethyl) 2-(1,7-dimethyl-10-oxidanylidene-4H-[1]benzoxepino[4,3-b]pyrrol-2-yl)ethanoate
MOLECULAR FORMULA: C23H21NO4
MOLECULAR WEIGHT: 375.41714
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CO2)C=C(N3C)CC(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: 3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-5-oxalo-pyrrole-2-carboxylic acid
CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-1-methyl-5-oxalo-2-pyrrolecarboxylic acid
IUPAC NAME: 3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-5-oxalopyrrole-2-carboxylic acid
SYSTEMATIC NAME: 5-(carboxycarbonyl)-3-[(3-chlorophenyl)sulfanylmethyl]-1-methyl-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C15H12ClNO5S
MOLECULAR WEIGHT: 353.77748
SMILES: CN1C(=CC(=C1C(=O)O)CSC2=CC(=CC=C2)Cl)C(=O)C(=O)O
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Product OPENEYE NAME: [(Z)-(8-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)amino] acetate
CAS Name: acetic acid [(Z)-(8-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)amino] ester
IUPAC NAME: [(Z)-(8-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)amino] acetate
SYSTEMATIC NAME: [(Z)-(8-methyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)amino] ethanoate
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: CC1=CC2=C(C=C1)C(=O)/C(=N\OC(=O)C)/CCO2
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