Sunday, June 24, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (4Z)-N-benzyl-5-hydroxy-4-hydroxyimino-5-(4-methoxyphenyl)hexanamide
CAS Name: (4Z)-5-hydroxy-4-hydroxyimino-5-(4-methoxyphenyl)-N-(phenylmethyl)hexanamide
IUPAC NAME: (4Z)-N-benzyl-5-hydroxy-4-hydroxyimino-5-(4-methoxyphenyl)hexanamide
SYSTEMATIC NAME: (4Z)-4-hydroxyimino-5-(4-methoxyphenyl)-5-oxidanyl-N-(phenylmethyl)hexanamide
MOLECULAR FORMULA: C20H24N2O4
MOLECULAR WEIGHT: 356.41556
SMILES: CC(C1=CC=C(C=C1)OC)(/C(=N\O)/CCC(=O)NCC2=CC=CC=C2)O
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Product OPENEYE NAME: ethyl (4S,5S)-6',6'-dimethyl-3-phenyl-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4S,5S)-6',6'-dimethyl-3-phenyl-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-phenylspiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-phenyl-spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: CCOC(=O)[C@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(p-tolyl)spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4S,5S)-6',6'-dimethyl-3-(4-methylphenyl)-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(4-methylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(4-methylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CCOC(=O)[C@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=C(C=C4)C
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Product OPENEYE NAME: ethyl (4S,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4S,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-3-(4-chlorophenyl)-6',6'-dimethylspiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C19H20ClN3O4
MOLECULAR WEIGHT: 389.8328
SMILES: CCOC(=O)[C@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(2,4,6-trimethylphenyl)spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4S,5S)-6',6'-dimethyl-3-(2,4,6-trimethylphenyl)-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-6',6'-dimethyl-3-(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C22H27N3O4
MOLECULAR WEIGHT: 397.46748
SMILES: CCOC(=O)[C@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=C(C=C(C=C4C)C)C
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Product OPENEYE NAME: ethyl (4S,5S)-3-(2,6-dichlorophenyl)-6',6'-dimethyl-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4S,5S)-3-(2,6-dichlorophenyl)-6',6'-dimethyl-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S,5S)-3-(2,6-dichlorophenyl)-6',6'-dimethylspiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4S,5S)-3-[2,6-bis(chloranyl)phenyl]-6',6'-dimethyl-spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C19H19Cl2N3O4
MOLECULAR WEIGHT: 424.27786
SMILES: CCOC(=O)[C@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: ethyl (4R,5S)-6',6'-dimethyl-3-phenyl-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4R,5S)-6',6'-dimethyl-3-phenyl-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R,5S)-6',6'-dimethyl-3-phenylspiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4R,5S)-6',6'-dimethyl-3-phenyl-spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: CCOC(=O)[C@@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl (4R,5S)-6',6'-dimethyl-3-(p-tolyl)spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4R,5S)-6',6'-dimethyl-3-(4-methylphenyl)-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R,5S)-6',6'-dimethyl-3-(4-methylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4R,5S)-6',6'-dimethyl-3-(4-methylphenyl)spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CCOC(=O)[C@@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=C(C=C4)C
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Product OPENEYE NAME: ethyl (4R,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
CAS Name: (4R,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-4-spiro[4H-isoxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R,5S)-3-(4-chlorophenyl)-6',6'-dimethylspiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
SYSTEMATIC NAME: ethyl (4R,5S)-3-(4-chlorophenyl)-6',6'-dimethyl-spiro[4H-1,2-oxazole-5,4'-5,7-dihydro-2,1,3-benzoxadiazole]-4-carboxylate
MOLECULAR FORMULA: C19H20ClN3O4
MOLECULAR WEIGHT: 389.8328
SMILES: CCOC(=O)[C@@H]1C(=NO[C@@]12CC(CC3=NON=C23)(C)C)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[7-[5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1,3,6,8-tetraoxo-isoindolo[5,6-f]isoindol-2-yl]pentanamide
CAS Name: 5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[7-[[5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1,3,6,8-tetraoxo-2-isoindolo[5,6-f]isoindolyl]pentanamide
IUPAC NAME: 5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[7-[5-[(3aR,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1,3,6,8-tetraoxoisoindolo[5,6-f]isoindol-2-yl]pentanamide
SYSTEMATIC NAME: 5-[(3aR,4S,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[7-[5-[(3aR,4S,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1,3,6,8-tetrakis(oxidanylidene)isoindolo[5,6-f]isoindol-2-yl]pentana
MOLECULAR FORMULA: C34H36N8O8S2
MOLECULAR WEIGHT: 748.82844
SMILES: C1[C@@H]2[C@H]([C@@H](S1)CCCCC(=O)NN3C(=O)C4=CC5=CC6=C(C=C5C=C4C3=O)C(=O)N(C6=O)NC(=O)CCCC[C@H]7[C@H]8[C@@H](CS7)NC(=O)N8)NC(=O)N2
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Product OPENEYE NAME: methyl 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyrazine-2-carboxylate
CAS Name: 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-2-pyrazinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyrazine-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyrazine-2-carboxylate
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC(C)(C)C(=O)/C=C(/C1=NC=CN=C1C(=O)OC)\O
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Product OPENEYE NAME: ethyl 4-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyridine-3-carboxylate
CAS Name: 4-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)C1=C(C=CN=C1)/C(=C/C(=O)C(C)(C)C)/O
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Product OPENEYE NAME: methyl 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyridine-3-carboxylate
CAS Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C14H17NO4
MOLECULAR WEIGHT: 263.28908
SMILES: CC(C)(C)C(=O)/C=C(/C1=C(C=CC=N1)C(=O)OC)\O
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Product OPENEYE NAME: (7Z)-7-(3,3-dimethyl-2-oxo-butylidene)furo[3,4-b]pyrazin-5-one
CAS Name: (7Z)-7-(3,3-dimethyl-2-oxobutylidene)-5-furo[3,4-b]pyrazinone
IUPAC NAME: (7Z)-7-(3,3-dimethyl-2-oxobutylidene)furo[3,4-b]pyrazin-5-one
SYSTEMATIC NAME: (7Z)-7-(3,3-dimethyl-2-oxidanylidene-butylidene)furo[3,4-b]pyrazin-5-one
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CC(C)(C)C(=O)/C=C\1/C2=NC=CN=C2C(=O)O1
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Product OPENEYE NAME: (1Z)-1-(3,3-dimethyl-2-oxo-butylidene)furo[3,4-c]pyridin-3-one
CAS Name: (1Z)-1-(3,3-dimethyl-2-oxobutylidene)-3-furo[3,4-c]pyridinone
IUPAC NAME: (1Z)-1-(3,3-dimethyl-2-oxobutylidene)furo[3,4-c]pyridin-3-one
SYSTEMATIC NAME: (1Z)-1-(3,3-dimethyl-2-oxidanylidene-butylidene)furo[3,4-c]pyridin-3-one
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC(C)(C)C(=O)/C=C\1/C2=C(C=NC=C2)C(=O)O1
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