Wednesday, June 19, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [1-(4-isopropylphenyl)sulfonyl-4-piperidyl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CAS Name: [1-(4-propan-2-ylphenyl)sulfonyl-4-piperidinyl]-[(2S)-2-(1H-pyrrol-2-yl)-1-pyrrolidinyl]methanone
IUPAC NAME: [1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SYSTEMATIC NAME: [1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
MOLECULAR FORMULA: C23H31N3O3S
MOLECULAR WEIGHT: 429.57554
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C4=CC=CN4
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Product OPENEYE NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
CAS Name: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
IUPAC NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
SYSTEMATIC NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
MOLECULAR FORMULA: C23H33O5-
MOLECULAR WEIGHT: 389.50512
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@@H](C)[C@@H](C)C(=O)[O-]
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Product OPENEYE NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
CAS Name: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
IUPAC NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
SYSTEMATIC NAME: (2R,3R)-3-[(1S,7R,8S,8aS)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@@H](C)[C@@H](C)C(=O)O
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Product OPENEYE NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
CAS Name: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
IUPAC NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
SYSTEMATIC NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
MOLECULAR FORMULA: C23H33O5-
MOLECULAR WEIGHT: 389.50512
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@H](C)[C@@H](C)C(=O)[O-]
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Product OPENEYE NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
CAS Name: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
IUPAC NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
SYSTEMATIC NAME: (2R,3S)-3-[(1S,7R,8S,8aS)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@H](C)[C@@H](C)C(=O)O
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Product OPENEYE NAME: 2-(5-methyl-2-phenyl-oxazol-4-yl)-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]acetamide
CAS Name: 2-(5-methyl-2-phenyl-4-oxazolyl)-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]acetamide
IUPAC NAME: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
SYSTEMATIC NAME: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]ethanamide
MOLECULAR FORMULA: C25H26N4O2
MOLECULAR WEIGHT: 414.49954
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)NCCCC3=CN(N=C3C)C4=CC=CC=C4
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Product OPENEYE NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
CAS Name: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
IUPAC NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
SYSTEMATIC NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
MOLECULAR FORMULA: C23H33O5-
MOLECULAR WEIGHT: 389.50512
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@@H](C)[C@@H](C)C(=O)[O-]
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Product OPENEYE NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
CAS Name: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
IUPAC NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoic acid
SYSTEMATIC NAME: (2R,3R)-3-[(1S,7R,8S,8aR)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoic acid
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@@H](C)[C@@H](C)C(=O)O
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Product OPENEYE NAME: (2R,3S)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
CAS Name: (2R,3S)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
IUPAC NAME: (2R,3S)-3-[(1S,7R,8S,8aR)-8-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methylbutanoate
SYSTEMATIC NAME: (2R,3S)-3-[(1S,7R,8S,8aR)-7-methyl-8-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2-methyl-butanoate
MOLECULAR FORMULA: C23H33O5-
MOLECULAR WEIGHT: 389.50512
SMILES: C[C@@H]1C=CC2=CCC[C@H]([C@H]2[C@H]1CC[C@H]3C[C@H](CC(=O)O3)O)[C@H](C)[C@@H](C)C(=O)[O-]
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