Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22FNO4
MOLECULAR WEIGHT: 359.391383
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC)F
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Product OPENEYE NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NCC2=CC=CC=C2OC
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Product OPENEYE NAME: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C20H24N4OS
MOLECULAR WEIGHT: 368.49576
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C
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Product OPENEYE NAME: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: C[C@@H](C(=O)NC1CCCCCC1)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(3-methoxyanilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methoxyanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H23NO5
MOLECULAR WEIGHT: 357.40032
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC(=CC=C2)OC
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Product OPENEYE NAME: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H18N4OS2
MOLECULAR WEIGHT: 406.52382
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3SCC#N
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Product OPENEYE NAME: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CC(=C2)C)OC
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Product OPENEYE NAME: 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]imidazolidin-2-one
CAS Name: 1-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-2-imidazolidinone
IUPAC NAME: 1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]imidazolidin-2-one
SYSTEMATIC NAME: 1-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]imidazolidin-2-one
MOLECULAR FORMULA: C16H16N4O2S
MOLECULAR WEIGHT: 328.38884
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCNC3=O
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Product OPENEYE NAME: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: C[C@H](C(=O)NC1CCCCCC1)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C
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Product OPENEYE NAME: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile
CAS Name: 3-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]benzonitrile
IUPAC NAME: 3-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
SYSTEMATIC NAME: 3-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile
MOLECULAR FORMULA: C19H15N3S
MOLECULAR WEIGHT: 317.4075
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C#N
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Product OPENEYE NAME: [2-(2-chloroanilino)-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate
CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SYSTEMATIC NAME: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: [(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C22H27NO6
MOLECULAR WEIGHT: 401.45288
SMILES: C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)CCC2=CC=C(C=C2)OC
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