Wednesday, July 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[(E)-2-(4-fluorophenyl)vinyl]pyridazine
CAS Name: 4-[(E)-2-(4-fluorophenyl)ethenyl]pyridazine
IUPAC NAME: 4-[(E)-2-(4-fluorophenyl)ethenyl]pyridazine
SYSTEMATIC NAME: 4-[(E)-2-(4-fluorophenyl)ethenyl]pyridazine
MOLECULAR FORMULA: C12H9FN2
MOLECULAR WEIGHT: 200.211663
SMILES: C1=CC(=CC=C1/C=C/C2=CN=NC=C2)F
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Product OPENEYE NAME: 4-[(E)-2-(2-bromophenyl)vinyl]pyridazine
CAS Name: 4-[(E)-2-(2-bromophenyl)ethenyl]pyridazine
IUPAC NAME: 4-[(E)-2-(2-bromophenyl)ethenyl]pyridazine
SYSTEMATIC NAME: 4-[(E)-2-(2-bromophenyl)ethenyl]pyridazine
MOLECULAR FORMULA: C12H9BrN2
MOLECULAR WEIGHT: 261.11726
SMILES: C1=CC=C(C(=C1)/C=C/C2=CN=NC=C2)Br
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Product OPENEYE NAME: 4-[(E)-2-(3-bromophenyl)vinyl]pyridazine
CAS Name: 4-[(E)-2-(3-bromophenyl)ethenyl]pyridazine
IUPAC NAME: 4-[(E)-2-(3-bromophenyl)ethenyl]pyridazine
SYSTEMATIC NAME: 4-[(E)-2-(3-bromophenyl)ethenyl]pyridazine
MOLECULAR FORMULA: C12H9BrN2
MOLECULAR WEIGHT: 261.11726
SMILES: C1=CC(=CC(=C1)Br)/C=C/C2=CN=NC=C2
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Product OPENEYE NAME: tetramethyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid tetramethyl ester
IUPAC NAME: tetramethyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: tetramethyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C14H19NO8
MOLECULAR WEIGHT: 329.30256
SMILES: COC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: O2,O3-diethyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-diethyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-diethyl 1-O,4-O-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-diethyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C16H23NO8
MOLECULAR WEIGHT: 357.35572
SMILES: CCOC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-dipropyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O1,O4-dimethyl ester O2,O3-dipropyl ester
IUPAC NAME: 1-O,4-O-dimethyl 2-O,3-O-dipropyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O1,O4-dimethyl O2,O3-dipropyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C18H27NO8
MOLECULAR WEIGHT: 385.40888
SMILES: CCCOC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCCC
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Product OPENEYE NAME: O2,O3-dibutyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-dibutyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-dibutyl 1-O,4-O-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-dibutyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CCCCOC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCCCC
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-disec-butyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-dibutan-2-yl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-dibutan-2-yl 1-O,4-O-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-dibutan-2-yl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CCC(C)OC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC(C)CC
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Product OPENEYE NAME: O2,O3-ditert-butyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-ditert-butyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-ditert-butyl 1-O,4-O-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-ditert-butyl O1,O4-dimethyl (1S,2R,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CC(C)(C)OC(=O)[C@H]1[C@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC(C)(C)C
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-diphenyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O1,O4-dimethyl ester O2,O3-diphenyl ester
IUPAC NAME: 1-O,4-O-dimethyl 2-O,3-O-diphenyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O1,O4-dimethyl O2,O3-diphenyl (1R,2S,3R,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C24H23NO8
MOLECULAR WEIGHT: 453.44132
SMILES: COC(=O)[C@]12CC[C@](N1)([C@@H]([C@@H]2C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)OC
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Product OPENEYE NAME: tetramethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid tetramethyl ester
IUPAC NAME: tetramethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: tetramethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C14H19NO8
MOLECULAR WEIGHT: 329.30256
SMILES: COC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: O2,O3-diethyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-diethyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-diethyl 1-O,4-O-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-diethyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C16H23NO8
MOLECULAR WEIGHT: 357.35572
SMILES: CCOC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-dipropyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O1,O4-dimethyl ester O2,O3-dipropyl ester
IUPAC NAME: 1-O,4-O-dimethyl 2-O,3-O-dipropyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O1,O4-dimethyl O2,O3-dipropyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C18H27NO8
MOLECULAR WEIGHT: 385.40888
SMILES: CCCOC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCCC
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Product OPENEYE NAME: O2,O3-dibutyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-dibutyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-dibutyl 1-O,4-O-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-dibutyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CCCCOC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OCCCC
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-disec-butyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-dibutan-2-yl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-dibutan-2-yl 1-O,4-O-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-dibutan-2-yl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CCC(C)OC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC(C)CC
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Product OPENEYE NAME: O2,O3-ditert-butyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O2,O3-ditert-butyl ester O1,O4-dimethyl ester
IUPAC NAME: 2-O,3-O-ditert-butyl 1-O,4-O-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O2,O3-ditert-butyl O1,O4-dimethyl (1R,2S,3S,4S)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C20H31NO8
MOLECULAR WEIGHT: 413.46204
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H]([C@@]2(CC[C@]1(N2)C(=O)OC)C(=O)OC)C(=O)OC(C)(C)C
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Product OPENEYE NAME: O1,O4-dimethyl O2,O3-diphenyl (1S,2S,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
CAS Name: (1S,2S,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylic acid O1,O4-dimethyl ester O2,O3-diphenyl ester
IUPAC NAME: 1-O,4-O-dimethyl 2-O,3-O-diphenyl (1S,2S,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: O1,O4-dimethyl O2,O3-diphenyl (1S,2S,3S,4R)-7-azabicyclo[2.2.1]heptane-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C24H23NO8
MOLECULAR WEIGHT: 453.44132
SMILES: COC(=O)[C@]12CC[C@](N1)([C@H]([C@@H]2C(=O)OC3=CC=CC=C3)C(=O)OC4=CC=CC=C4)C(=O)OC
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Product OPENEYE NAME: 2-oxido-[1,4]benzoxathiino[3,2-c]pyridin-2-ium
CAS Name: 2-oxido-[1,4]benzoxathiino[3,2-c]pyridin-2-ium
IUPAC NAME: 2-oxido-[1,4]benzoxathiino[3,2-c]pyridin-2-ium
SYSTEMATIC NAME: 2-oxidanidyl-[1,4]benzoxathiino[3,2-c]pyridin-2-ium
MOLECULAR FORMULA: C11H7NO2S
MOLECULAR WEIGHT: 217.24378
SMILES: C1=CC=C2C(=C1)OC3=C(S2)C=[N+](C=C3)[O-]
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Product OPENEYE NAME: ethyl (2S)-2-[[(2S)-2-[[(4-chlorophenyl)-(hydroxyamino)methylene]amino]propanoyl]amino]propanoate
CAS Name: (2S)-2-[[(2S)-2-[[(4-chlorophenyl)-(hydroxyamino)methylidene]amino]-1-oxopropyl]amino]propanoic acid ethyl ester
IUPAC NAME: ethyl (2S)-2-[[(2S)-2-[[(4-chlorophenyl)-(hydroxyamino)methylidene]amino]propanoyl]amino]propanoate
SYSTEMATIC NAME: ethyl (2S)-2-[[(2S)-2-[[(4-chlorophenyl)-(oxidanylamino)methylidene]amino]propanoyl]amino]propanoate
MOLECULAR FORMULA: C15H20ClN3O4
MOLECULAR WEIGHT: 341.79
SMILES: CCOC(=O)[C@H](C)NC(=O)[C@H](C)N=C(C1=CC=C(C=C1)Cl)NO
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Product OPENEYE NAME: ethyl 2-[(E)-C-(4-chlorophenyl)-N-hydroxy-carbonimidoyl]sulfanylacetate
CAS Name: 2-[[(E)-(4-chlorophenyl)-hydroxyiminomethyl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]sulfanylacetate
SYSTEMATIC NAME: ethyl 2-[(E)-C-(4-chlorophenyl)-N-oxidanyl-carbonimidoyl]sulfanylethanoate
MOLECULAR FORMULA: C11H12ClNO3S
MOLECULAR WEIGHT: 273.73588
SMILES: CCOC(=O)CS/C(=N/O)/C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 4,6-diphenyl-1-[(E)-[(3E)-1-phenyl-3-(phenylhydrazono)propylidene]amino]pyridin-2-one
CAS Name: 4,6-diphenyl-1-[(E)-[(3E)-1-phenyl-3-(phenylhydrazinylidene)propylidene]amino]-2-pyridinone
IUPAC NAME: 4,6-diphenyl-1-[(E)-[(3E)-1-phenyl-3-(phenylhydrazinylidene)propylidene]amino]pyridin-2-one
SYSTEMATIC NAME: 4,6-diphenyl-1-[(E)-[(3E)-1-phenyl-3-(phenylhydrazinylidene)propylidene]amino]pyridin-2-one
MOLECULAR FORMULA: C32H26N4O
MOLECULAR WEIGHT: 482.57504
SMILES: C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)/N=C(\C/C=N/NC4=CC=CC=C4)/C5=CC=CC=C5
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Product OPENEYE NAME: (1E,3E)-3-[(2-oxo-4,6-diphenyl-1-pyridyl)imino]-3-phenyl-propanal oxime
CAS Name: (1E,3E)-3-[(2-oxo-4,6-diphenyl-1-pyridinyl)imino]-3-phenylpropanal oxime
IUPAC NAME: 1-[(E)-[(3E)-3-hydroxyimino-1-phenylpropylidene]amino]-4,6-diphenylpyridin-2-one
SYSTEMATIC NAME: 1-[(E)-[(3E)-3-hydroxyimino-1-phenyl-propylidene]amino]-4,6-diphenyl-pyridin-2-one
MOLECULAR FORMULA: C26H21N3O2
MOLECULAR WEIGHT: 407.46384
SMILES: C1=CC=C(C=C1)C2=CC(=O)N(C(=C2)C3=CC=CC=C3)/N=C(\C/C=N/O)/C4=CC=CC=C4
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