Sunday, June 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (1S,3S)-3-(2-ethoxy-2-oxo-ethyl)-5-methoxy-indane-1-carboxylate
CAS Name: (1S,3S)-3-(2-ethoxy-2-oxoethyl)-5-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid methyl ester
IUPAC NAME: methyl (1S,3S)-3-(2-ethoxy-2-oxoethyl)-5-methoxy-2,3-dihydro-1H-indene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,3S)-3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methoxy-2,3-dihydro-1H-indene-1-carboxylate
MOLECULAR FORMULA: C16H20O5
MOLECULAR WEIGHT: 292.327
SMILES: CCOC(=O)C[C@@H]1C[C@@H](C2=C1C=C(C=C2)OC)C(=O)OC
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Product OPENEYE NAME: 2-[(1S,3S)-3-(hydroxymethyl)-6-methoxy-indan-1-yl]ethanol
CAS Name: 2-[(1S,3S)-3-(hydroxymethyl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanol
IUPAC NAME: 2-[(1S,3S)-3-(hydroxymethyl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanol
SYSTEMATIC NAME: 2-[(1S,3S)-3-(hydroxymethyl)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: COC1=CC2=C(C=C1)[C@H](C[C@H]2CCO)CO
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Product OPENEYE NAME: 2-[(1S,3S)-6-methoxy-3-(p-tolylsulfonyloxymethyl)indan-1-yl]ethyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl ester
IUPAC NAME: 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[(1S,3S)-6-methoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1H-inden-1-yl]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H30O7S2
MOLECULAR WEIGHT: 530.6529
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H]2C[C@@H](C3=C2C=C(C=C3)OC)COS(=O)(=O)C4=CC=C(C=C4)C
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Product OPENEYE NAME: (1S,3S)-3-(2-bromoethyl)-1-(bromomethyl)-5-methoxy-indane
CAS Name: (1S,3S)-3-(2-bromoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
IUPAC NAME: (1S,3S)-3-(2-bromoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
SYSTEMATIC NAME: (1S,3S)-3-(2-bromoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C13H16Br2O
MOLECULAR WEIGHT: 348.07354
SMILES: COC1=CC2=C(C=C1)[C@H](C[C@H]2CCBr)CBr
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Product OPENEYE NAME: (1S,3S)-3-(2-azidoethyl)-1-(bromomethyl)-5-methoxy-indane
CAS Name: (1S,3S)-3-(2-azidoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
IUPAC NAME: (1S,3S)-3-(2-azidoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
SYSTEMATIC NAME: (1S,3S)-3-(2-azidoethyl)-1-(bromomethyl)-5-methoxy-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C13H16BrN3O
MOLECULAR WEIGHT: 310.18964
SMILES: COC1=CC2=C(C=C1)[C@H](C[C@H]2CCN=[N+]=[N-])CBr
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Product OPENEYE NAME: (1S,3S)-1-(azidomethyl)-3-(2-bromoethyl)-5-methoxy-indane
CAS Name: (1S,3S)-1-(azidomethyl)-3-(2-bromoethyl)-5-methoxy-2,3-dihydro-1H-indene
IUPAC NAME: (1S,3S)-1-(azidomethyl)-3-(2-bromoethyl)-5-methoxy-2,3-dihydro-1H-indene
SYSTEMATIC NAME: (1S,3S)-1-(azidomethyl)-3-(2-bromoethyl)-5-methoxy-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C13H16BrN3O
MOLECULAR WEIGHT: 310.18964
SMILES: COC1=CC2=C(C=C1)[C@H](C[C@H]2CCBr)CN=[N+]=[N-]
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Product OPENEYE NAME: methyl 3-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-5-methoxy-indane-1-carboxylate
CAS Name: 3-(2-ethoxy-2-oxoethyl)-3-hydroxy-5-methoxy-1,2-dihydroindene-1-carboxylic acid methyl ester
IUPAC NAME: methyl 3-(2-ethoxy-2-oxoethyl)-3-hydroxy-5-methoxy-1,2-dihydroindene-1-carboxylate
SYSTEMATIC NAME: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-methoxy-3-oxidanyl-1,2-dihydroindene-1-carboxylate
MOLECULAR FORMULA: C16H20O6
MOLECULAR WEIGHT: 308.3264
SMILES: CCOC(=O)CC1(CC(C2=C1C=C(C=C2)OC)C(=O)OC)O
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Product OPENEYE NAME: (Z)-(1-oxotetralin-2-ylidene)methanolate
CAS Name: (Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methanolate
IUPAC NAME: (Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methanolate
SYSTEMATIC NAME: (Z)-(1-oxidanylidene-3,4-dihydronaphthalen-2-ylidene)methanolate
MOLECULAR FORMULA: C11H9O2-
MOLECULAR WEIGHT: 173.18796
SMILES: C1C/C(=C/[O-])/C(=O)C2=CC=CC=C21
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Product OPENEYE NAME: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate
CAS Name: phosphoric acid [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl ester
IUPAC NAME: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate
SYSTEMATIC NAME: [5-(4-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl] diethyl phosphate
MOLECULAR FORMULA: C19H19ClN3O6P
MOLECULAR WEIGHT: 451.797421
SMILES: CCOP(=O)(OCC)OC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: benzyl 3-hydroxy-3-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-hydroxy-3-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-hydroxy-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-methyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2C(=O)OCC3=CC=CC=C3)(C)O
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Product OPENEYE NAME: benzyl 3-ethyl-3-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-ethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: CCC1(CCN(C1C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)O
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Product OPENEYE NAME: benzyl 3-hydroxy-4-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-hydroxy-4-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-hydroxy-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-methyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CC1CN(C(C1O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: benzyl 4-ethyl-3-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 4-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-ethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: CCC1CN(C(C1O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: benzyl 3-hydroxy-5-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-hydroxy-5-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-hydroxy-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 5-methyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CC1CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)O
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Product OPENEYE NAME: benzyl 5-ethyl-3-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 5-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 5-ethyl-3-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 5-ethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: CCC1CC(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC3=CC=CC=C3)O
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Product OPENEYE NAME: benzyl 3-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C19H21NO5S
MOLECULAR WEIGHT: 375.43874
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2C(=O)OCC3=CC=CC=C3)O
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Product OPENEYE NAME: benzyl 3-hydroxy-4,5-dimethyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate
CAS Name: 3-hydroxy-4,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-hydroxy-4,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxidanyl-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C21H25NO5S
MOLECULAR WEIGHT: 403.4919
SMILES: CC1C(N(C(C1O)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C
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Product OPENEYE NAME: benzyl 3-methyl-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-5-carboxylate
CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate
MOLECULAR FORMULA: C20H21NO4S
MOLECULAR WEIGHT: 371.45004
SMILES: CC1CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: benzyl 1-(p-tolylsulfonyl)-2,3-dihydropyrrole-5-carboxylate
CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-5-carboxylate
MOLECULAR FORMULA: C19H19NO4S
MOLECULAR WEIGHT: 357.42346
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC=C2C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: N-[4-(benzylideneamino)-1,2,5-oxadiazol-3-yl]-1-phenyl-methanimine
CAS Name: 1-phenyl-N-[4-[(phenylmethylene)amino]-1,2,5-oxadiazol-3-yl]methanimine
IUPAC NAME: N-[4-(benzylideneamino)-1,2,5-oxadiazol-3-yl]-1-phenylmethanimine
SYSTEMATIC NAME: 1-phenyl-N-[4-[(phenylmethylidene)amino]-1,2,5-oxadiazol-3-yl]methanimine
MOLECULAR FORMULA: C16H12N4O
MOLECULAR WEIGHT: 276.29268
SMILES: C1=CC=C(C=C1)C=NC2=NON=C2N=CC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyleneamino]-1,2,5-oxadiazol-3-yl]methanimine
CAS Name: 1-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
IUPAC NAME: 1-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]methanimine
MOLECULAR FORMULA: C18H16N4O3
MOLECULAR WEIGHT: 336.34464
SMILES: COC1=CC=C(C=C1)C=NC2=NON=C2N=CC3=CC=C(C=C3)OC
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Product OPENEYE NAME: ethyl 2-[[3-ethoxycarbonyl-5-[(E)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylate
CAS Name: 2-[[3-ethoxycarbonyl-5-[(E)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-ethoxycarbonyl-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[3-ethoxycarbonyl-5-[(E)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C33H40N4O6
MOLECULAR WEIGHT: 588.6939
SMILES: CCC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C\4/NC(=O)C(=C4CC)C)C)C(=O)OCC)C(=O)OCC)C)C
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