Tuesday, November 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2,4-ditert-butyl-3-hydroxy-phenyl)sulfanylcyclohexyl] acetate
CAS Name: acetic acid [2-[(2,4-ditert-butyl-3-hydroxyphenyl)thio]cyclohexyl] ester
IUPAC NAME: [2-(2,4-ditert-butyl-3-hydroxyphenyl)sulfanylcyclohexyl] acetate
SYSTEMATIC NAME: [2-(2,4-ditert-butyl-3-oxidanyl-phenyl)sulfanylcyclohexyl] ethanoate
MOLECULAR FORMULA: C22H34O3S
MOLECULAR WEIGHT: 378.56856
SMILES: CC(=O)OC1CCCCC1SC2=C(C(=C(C=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-thioxo-cyclohexanone
CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylidene-1-cyclohexanone
IUPAC NAME: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-sulfanylidenecyclohexan-1-one
SYSTEMATIC NAME: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-sulfanylidene-cyclohexan-1-one
MOLECULAR FORMULA: C20H28O2S
MOLECULAR WEIGHT: 332.50012
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CCCC(=O)C2=S
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Product OPENEYE NAME: cyclohexylsulfonyl 2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-acetate
CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-2-mercaptoacetic acid cyclohexylsulfonyl ester
IUPAC NAME: cyclohexylsulfonyl 2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2-sulfanylacetate
SYSTEMATIC NAME: cyclohexylsulfonyl 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-sulfanyl-ethanoate
MOLECULAR FORMULA: C22H32O5S2
MOLECULAR WEIGHT: 440.61648
SMILES: CC(C)(C)C1=CC(=C(C(=O)OS(=O)(=O)C2CCCCC2)S)C=C(C1=O)C(C)(C)C
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Product OPENEYE NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-thioxo-piperazin-1-yl]-2-oxo-ethanethial
CAS Name: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidene-1-piperazinyl]-2-oxoethanethial
IUPAC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-sulfanylidenepiperazin-1-yl]-2-oxoethanethial
SYSTEMATIC NAME: 2-[2-cyclohexyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-sulfanylidene-piperazin-1-yl]-2-oxidanylidene-ethanethial
MOLECULAR FORMULA: C26H38N2O2S2
MOLECULAR WEIGHT: 474.72212
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2(C(=S)NCCN2C(=O)C=S)C3CCCCC3
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Product OPENEYE NAME: N-heptyl-3-(o-tolyl)benzofuran-2-carboxamide
CAS Name: N-heptyl-3-(2-methylphenyl)-2-benzofurancarboxamide
IUPAC NAME: N-heptyl-3-(2-methylphenyl)-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-heptyl-3-(2-methylphenyl)-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C23H27NO2
MOLECULAR WEIGHT: 349.46598
SMILES: CCCCCCCNC(=O)C1=C(C2=CC=CC=C2O1)C3=CC=CC=C3C
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Product OPENEYE NAME: 1-(4-bromophenyl)-3-(2-furylmethyl)-3-[(5-methylbenzofuran-2-yl)methyl]-1-(2,4,6-trifluorophenyl)urea
CAS Name: 1-(4-bromophenyl)-3-(2-furanylmethyl)-3-[(5-methyl-2-benzofuranyl)methyl]-1-(2,4,6-trifluorophenyl)urea
IUPAC NAME: 1-(4-bromophenyl)-3-(furan-2-ylmethyl)-3-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(2,4,6-trifluorophenyl)urea
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-(furan-2-ylmethyl)-3-[(5-methyl-1-benzofuran-2-yl)methyl]-1-[2,4,6-tris(fluoranyl)phenyl]urea
MOLECULAR FORMULA: C28H20BrF3N2O3
MOLECULAR WEIGHT: 569.36921
SMILES: CC1=CC2=C(C=C1)OC(=C2)CN(CC3=CC=CO3)C(=O)N(C4=CC=C(C=C4)Br)C5=C(C=C(C=C5F)F)F
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Product OPENEYE NAME: 1-(2-chlorophenyl)-3-heptyl-3-[(5-methylbenzofuran-2-yl)methyl]-1-(2,4,6-trifluorophenyl)urea
CAS Name: 1-(2-chlorophenyl)-3-heptyl-3-[(5-methyl-2-benzofuranyl)methyl]-1-(2,4,6-trifluorophenyl)urea
IUPAC NAME: 1-(2-chlorophenyl)-3-heptyl-3-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(2,4,6-trifluorophenyl)urea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-heptyl-3-[(5-methyl-1-benzofuran-2-yl)methyl]-1-[2,4,6-tris(fluoranyl)phenyl]urea
MOLECULAR FORMULA: C30H30ClF3N2O2
MOLECULAR WEIGHT: 543.01961
SMILES: CCCCCCCN(CC1=CC2=C(O1)C=CC(=C2)C)C(=O)N(C3=CC=CC=C3Cl)C4=C(C=C(C=C4F)F)F
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Product OPENEYE NAME: N-[[5-chloro-3-(4-chlorophenyl)benzofuran-2-yl]methyl]-1-phenyl-methanamine
CAS Name: N-[[5-chloro-3-(4-chlorophenyl)-2-benzofuranyl]methyl]-1-phenylmethanamine
IUPAC NAME: N-[[5-chloro-3-(4-chlorophenyl)-1-benzofuran-2-yl]methyl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[[5-chloranyl-3-(4-chlorophenyl)-1-benzofuran-2-yl]methyl]-1-phenyl-methanamine
MOLECULAR FORMULA: C22H17Cl2NO
MOLECULAR WEIGHT: 382.28248
SMILES: C1=CC=C(C=C1)CNCC2=C(C3=C(O2)C=CC(=C3)Cl)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]heptan-1-amine
CAS Name: N-[[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl]-1-heptanamine
IUPAC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]heptan-1-amine
SYSTEMATIC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]heptan-1-amine
MOLECULAR FORMULA: C23H28ClNO
MOLECULAR WEIGHT: 369.92752
SMILES: CCCCCCCNCC1=C(C2=C(O1)C=CC(=C2)C)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(4-chlorophenyl)-5-methyl-N-propyl-benzofuran-2-carboxamide
CAS Name: 3-(4-chlorophenyl)-5-methyl-N-propyl-2-benzofurancarboxamide
IUPAC NAME: 3-(4-chlorophenyl)-5-methyl-N-propyl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5-methyl-N-propyl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C19H18ClNO2
MOLECULAR WEIGHT: 327.80472
SMILES: CCCNC(=O)C1=C(C2=C(O1)C=CC(=C2)C)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]cyclopentanamine hydrochloride
CAS Name: N-[[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl]cyclopentanamine hydrochloride
IUPAC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopentanamine hydrochloride
SYSTEMATIC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopentanamine hydrochloride
MOLECULAR FORMULA: C21H23Cl2NO
MOLECULAR WEIGHT: 376.31942
SMILES: CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Cl)CNC4CCCC4.Cl
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Product OPENEYE NAME: N-[[3-(4-chlorophenyl)-5-methyl-benzofuran-2-yl]methyl]cyclopentanamine
CAS Name: N-[[3-(4-chlorophenyl)-5-methyl-2-benzofuranyl]methyl]cyclopentanamine
IUPAC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopentanamine
SYSTEMATIC NAME: N-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopentanamine
MOLECULAR FORMULA: C21H22ClNO
MOLECULAR WEIGHT: 339.85848
SMILES: CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Cl)CNC4CCCC4
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Product OPENEYE NAME: 2-(2-formyl-6-phenyl-phenoxy)acetate
CAS Name: 2-(2-formyl-6-phenylphenoxy)acetate
IUPAC NAME: 2-(2-formyl-6-phenylphenoxy)acetate
SYSTEMATIC NAME: 2-(2-methanoyl-6-phenyl-phenoxy)ethanoate
MOLECULAR FORMULA: C15H11O4-
MOLECULAR WEIGHT: 255.24544
SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C=O)OCC(=O)[O-]
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Product OPENEYE NAME: 2-(2-formyl-6-phenyl-phenoxy)acetic acid
CAS Name: 2-(2-formyl-6-phenylphenoxy)acetic acid
IUPAC NAME: 2-(2-formyl-6-phenylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-methanoyl-6-phenyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C=O)OCC(=O)O
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Product OPENEYE NAME: 5-chloro-N-cyclobutyl-3-phenyl-benzofuran-2-carboxamide
CAS Name: 5-chloro-N-cyclobutyl-3-phenyl-2-benzofurancarboxamide
IUPAC NAME: 5-chloro-N-cyclobutyl-3-phenyl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-cyclobutyl-3-phenyl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C19H16ClNO2
MOLECULAR WEIGHT: 325.78884
SMILES: C1CC(C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4
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