Saturday, March 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H24N2O4S
MOLECULAR WEIGHT: 376.46986
SMILES: CCC(C)(C)NC(=O)COC(=O)C1=CC=CC=C1OCC2=CSC(=N2)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C16H19N3O5
MOLECULAR WEIGHT: 333.33916
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC(=O)N
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Product OPENEYE NAME: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19FN2O4S
MOLECULAR WEIGHT: 414.449963
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CC=C3F
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C16H19N3O5
MOLECULAR WEIGHT: 333.33916
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC(=O)N
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Product OPENEYE NAME: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C15H18N2O4
MOLECULAR WEIGHT: 290.31442
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)N
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Product OPENEYE NAME: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C19H14ClNO5S
MOLECULAR WEIGHT: 403.83616
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)OCC(=O)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C15H18N2O4
MOLECULAR WEIGHT: 290.31442
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)N
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Product OPENEYE NAME: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C21H19ClN2O5
MOLECULAR WEIGHT: 414.83896
SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3(CCCC3)C#N
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Product OPENEYE NAME: cyanomethyl 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid cyanomethyl ester
IUPAC NAME: cyanomethyl 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: cyanomethyl 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C14H10ClNO3
MOLECULAR WEIGHT: 275.6871
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)OCC#N
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Product OPENEYE NAME: [(1R)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C21H19ClN2O5
MOLECULAR WEIGHT: 414.83896
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C22H17ClN2O4
MOLECULAR WEIGHT: 408.83438
SMILES: CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)COC3=CC=C(C4=CC=CC=C43)Cl
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Product OPENEYE NAME: [(1S)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [(1R)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: (4-cyanophenyl)methyl 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid (4-cyanophenyl)methyl ester
IUPAC NAME: (4-cyanophenyl)methyl 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: (4-cyanophenyl)methyl 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C20H14ClNO3
MOLECULAR WEIGHT: 351.78306
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)OCC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: [(1S)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C24H28N2O5
MOLECULAR WEIGHT: 424.48952
SMILES: CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: (2-amino-2-oxo-ethyl) 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid (2-amino-2-oxoethyl) ester
IUPAC NAME: (2-amino-2-oxoethyl) 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: (2-azanyl-2-oxidanylidene-ethyl) 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C14H12ClNO4
MOLECULAR WEIGHT: 293.70238
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)OCC(=O)N
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Product OPENEYE NAME: [(1R)-2-oxocyclohexyl] 2-[(4-chloro-1-naphthyl)oxy]acetate
CAS Name: 2-[(4-chloro-1-naphthalenyl)oxy]acetic acid [(1R)-2-oxocyclohexyl] ester
IUPAC NAME: [(1R)-2-oxocyclohexyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SYSTEMATIC NAME: [(1R)-2-oxidanylidenecyclohexyl] 2-(4-chloranylnaphthalen-1-yl)oxyethanoate
MOLECULAR FORMULA: C18H17ClO4
MOLECULAR WEIGHT: 332.77818
SMILES: C1CCC(=O)[C@@H](C1)OC(=O)COC2=CC=C(C3=CC=CC=C32)Cl
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Product OPENEYE NAME: [(1R)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H16F2N2O5
MOLECULAR WEIGHT: 402.348246
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
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