Saturday, September 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-(4-benzhydryltriazol-2-yl)-2-phenoxy-pentanoic acid
CAS Name: 5-[4-(diphenylmethyl)-2-triazolyl]-2-phenoxypentanoic acid
IUPAC NAME: 5-(4-benzhydryltriazol-2-yl)-2-phenoxypentanoic acid
SYSTEMATIC NAME: 5-[4-(diphenylmethyl)-1,2,3-triazol-2-yl]-2-phenoxy-pentanoic acid
MOLECULAR FORMULA: C26H25N3O3
MOLECULAR WEIGHT: 427.495
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NN(N=C3)CCCC(C(=O)O)OC4=CC=CC=C4
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Product OPENEYE NAME: 5-(N-benzylanilino)-5-oxo-2-phenoxy-pentanoic acid
CAS Name: 5-oxo-2-phenoxy-5-(N-(phenylmethyl)anilino)pentanoic acid
IUPAC NAME: 5-(N-benzylanilino)-5-oxo-2-phenoxypentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-2-phenoxy-5-[phenyl-(phenylmethyl)amino]pentanoic acid
MOLECULAR FORMULA: C24H23NO4
MOLECULAR WEIGHT: 389.44372
SMILES: C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CCC(C(=O)O)OC3=CC=CC=C3
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Product OPENEYE NAME: [(Z)-[4-(3-acetylperoxyphenyl)-1-amino-butylidene]amino] 2,2-diphenylacetate
CAS Name: 2,2-diphenylacetic acid [(Z)-[4-(3-acetyldioxyphenyl)-1-aminobutylidene]amino] ester
IUPAC NAME: [(Z)-[4-(3-acetylperoxyphenyl)-1-aminobutylidene]amino] 2,2-diphenylacetate
SYSTEMATIC NAME: [(Z)-[1-azanyl-4-(3-ethanoylperoxyphenyl)butylidene]amino] 2,2-diphenylethanoate
MOLECULAR FORMULA: C26H26N2O5
MOLECULAR WEIGHT: 446.49504
SMILES: CC(=O)OOC1=CC=CC(=C1)CCC/C(=N/OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)/N
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Product OPENEYE NAME: 3-(4-benzhydrylpyrazol-1-yl)propyl 2-phenoxyacetate
CAS Name: 2-phenoxyacetic acid 3-[4-(diphenylmethyl)-1-pyrazolyl]propyl ester
IUPAC NAME: 3-(4-benzhydrylpyrazol-1-yl)propyl 2-phenoxyacetate
SYSTEMATIC NAME: 3-[4-(diphenylmethyl)pyrazol-1-yl]propyl 2-phenoxyethanoate
MOLECULAR FORMULA: C27H26N2O3
MOLECULAR WEIGHT: 426.50694
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCOC(=O)COC4=CC=CC=C4
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Product OPENEYE NAME: 6-(1,2-diphenylethylamino)-6-oxo-2-phenoxy-hexanoic acid
CAS Name: 6-(1,2-diphenylethylamino)-6-oxo-2-phenoxyhexanoic acid
IUPAC NAME: 6-(1,2-diphenylethylamino)-6-oxo-2-phenoxyhexanoic acid
SYSTEMATIC NAME: 6-(1,2-diphenylethylamino)-6-oxidanylidene-2-phenoxy-hexanoic acid
MOLECULAR FORMULA: C26H27NO4
MOLECULAR WEIGHT: 417.49688
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCCC(C(=O)O)OC3=CC=CC=C3
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Product OPENEYE NAME: 2-[3-(4-hydroxyheptyl)phenoxy]acetate
CAS Name: 2-[3-(4-hydroxyheptyl)phenoxy]acetate
IUPAC NAME: 2-[3-(4-hydroxyheptyl)phenoxy]acetate
SYSTEMATIC NAME: 2-[3-(4-oxidanylheptyl)phenoxy]ethanoate
MOLECULAR FORMULA: C15H21O4-
MOLECULAR WEIGHT: 265.32484
SMILES: CCCC(CCCC1=CC(=CC=C1)OCC(=O)[O-])O
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Product OPENEYE NAME: 2-[3-(4-hydroxyheptyl)phenoxy]acetic acid
CAS Name: 2-[3-(4-hydroxyheptyl)phenoxy]acetic acid
IUPAC NAME: 2-[3-(4-hydroxyheptyl)phenoxy]acetic acid
SYSTEMATIC NAME: 2-[3-(4-oxidanylheptyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: CCCC(CCCC1=CC(=CC=C1)OCC(=O)O)O
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Product OPENEYE NAME: (E)-2-[3-(4-benzhydrylpyrazol-1-yl)phenoxy]pent-3-enoic acid
CAS Name: (E)-2-[3-[4-(diphenylmethyl)-1-pyrazolyl]phenoxy]-3-pentenoic acid
IUPAC NAME: (E)-2-[3-(4-benzhydrylpyrazol-1-yl)phenoxy]pent-3-enoic acid
SYSTEMATIC NAME: (E)-2-[3-[4-(diphenylmethyl)pyrazol-1-yl]phenoxy]pent-3-enoic acid
MOLECULAR FORMULA: C27H24N2O3
MOLECULAR WEIGHT: 424.49106
SMILES: C/C=C/C(C(=O)O)OC1=CC=CC(=C1)N2C=C(C=N2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (6-isopropyl-2-thioxo-1H-pyridin-3-yl)-(2-thienyl)methanone
CAS Name: (6-propan-2-yl-2-sulfanylidene-1H-pyridin-3-yl)-thiophen-2-ylmethanone
IUPAC NAME: (6-propan-2-yl-2-sulfanylidene-1H-pyridin-3-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (6-propan-2-yl-2-sulfanylidene-1H-pyridin-3-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C13H13NOS2
MOLECULAR WEIGHT: 263.37842
SMILES: CC(C)C1=CC=C(C(=S)N1)C(=O)C2=CC=CS2
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Product OPENEYE NAME: [2-phenoxy-4-(2-pyrrolidin-1-ylethoxy)-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-phenoxy-4-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-phenoxy-4-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-phenoxy-4-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C22H22N2O3S
MOLECULAR WEIGHT: 394.48668
SMILES: C1CCN(C1)CCOC2=C(C(=NC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CS4
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Product OPENEYE NAME: (2-chloro-6-propyl-3-pyridyl)-(2-thienyl)methanone
CAS Name: (2-chloro-6-propyl-3-pyridinyl)-thiophen-2-ylmethanone
IUPAC NAME: (2-chloro-6-propylpyridin-3-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (2-chloranyl-6-propyl-pyridin-3-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C13H12ClNOS
MOLECULAR WEIGHT: 265.75848
SMILES: CCCC1=NC(=C(C=C1)C(=O)C2=CC=CS2)Cl
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Product OPENEYE NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-ethylsulfanyl-3-pyridyl]-(2-thienyl)methanone
CAS Name: [2-[3-(dimethylamino)propylthio]-4-(ethylthio)-3-pyridinyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-ethylsulfanylpyridin-3-yl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-[3-(dimethylamino)propylsulfanyl]-4-ethylsulfanyl-pyridin-3-yl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C17H22N2OS3
MOLECULAR WEIGHT: 366.56438
SMILES: CCSC1=C(C(=NC=C1)SCCCN(C)C)C(=O)C2=CC=CS2
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