Product OPENEYE NAME: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxo-propyl]-4-oxo-phthalazin-1-olate
CAS Name: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxopropyl]-4-oxo-1-phthalazinolate
IUPAC NAME: 3-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxopropyl]-4-oxophthalazin-1-olate
SYSTEMATIC NAME: 3-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate
MOLECULAR FORMULA: C20H17ClN3O5-
MOLECULAR WEIGHT: 414.81908
SMILES: C1COC2=C(C=C(C(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-])Cl)OC1
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Product OPENEYE NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
IUPAC NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SYSTEMATIC NAME: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanamide
MOLECULAR FORMULA: C20H18ClN3O5
MOLECULAR WEIGHT: 415.82702
SMILES: C1COC2=C(C=C(C(=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)Cl)OC1
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolyl)propanamide
CAS Name: (2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2S)-2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C21H20N4O3
MOLECULAR WEIGHT: 376.4085
SMILES: C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)N[C@@H](C)C(=O)NC3=CC=CC4=C3C=CC=N4
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Product OPENEYE NAME: (2R)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolyl)propanamide
CAS Name: (2R)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2R)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2R)-2-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C21H20N4O3
MOLECULAR WEIGHT: 376.4085
SMILES: C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)N[C@H](C)C(=O)NC3=CC=CC4=C3C=CC=N4
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Product OPENEYE NAME: (2S)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolyl)propanamide
CAS Name: (2S)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-(5-quinolinyl)propanamide
IUPAC NAME: (2S)-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-ylpropanamide
SYSTEMATIC NAME: (2S)-2-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]amino]-N-quinolin-5-yl-propanamide
MOLECULAR FORMULA: C21H20N4O3
MOLECULAR WEIGHT: 376.4085
SMILES: C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)N[C@@H](C)C(=O)NC3=CC=CC4=C3C=CC=N4
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Product OPENEYE NAME: [2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: [2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C21H26N4O5S
MOLECULAR WEIGHT: 446.51994
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3
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Product OPENEYE NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl)propanamide
IUPAC NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SYSTEMATIC NAME: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
MOLECULAR FORMULA: C21H23ClN4O3
MOLECULAR WEIGHT: 414.88532
SMILES: CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)NC3=CC4=C(C=C3Cl)OCCCO4)C
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Product OPENEYE NAME: (1-propyltetrazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester
IUPAC NAME: (1-propyltetrazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C16H18N6O2S
MOLECULAR WEIGHT: 358.41812
SMILES: CCCN1C(=NN=N1)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3
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Product OPENEYE NAME: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester
IUPAC NAME: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C19H19N3O5S2
MOLECULAR WEIGHT: 433.50126
SMILES: CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)C#N
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Product OPENEYE NAME: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester
IUPAC NAME: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C20H16ClN4O3S+
MOLECULAR WEIGHT: 427.88404
SMILES: CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl)C#N
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Product OPENEYE NAME: (2,5-dimethoxyphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (2,5-dimethoxyphenyl)methyl ester
IUPAC NAME: (2,5-dimethoxyphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (2,5-dimethoxyphenyl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C20H20N2O4S
MOLECULAR WEIGHT: 384.4488
SMILES: COC1=CC(=C(C=C1)OC)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3
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Product OPENEYE NAME: (5-chlorothiadiazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester
IUPAC NAME: (5-chlorothiadiazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C14H11ClN4O2S2
MOLECULAR WEIGHT: 366.84574
SMILES: CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=C(SN=N3)Cl)C#N
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [(2R)-1-oxo-1-(propylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C17H21N3O3S
MOLECULAR WEIGHT: 347.43194
SMILES: CCCNC(=O)[C@@H](C)OC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C17H21N3O3S
MOLECULAR WEIGHT: 347.43194
SMILES: CCCNC(=O)[C@H](C)OC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2
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Product OPENEYE NAME: 1,3-dimethyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: 1,3-dimethyl-N-[(3S)-3-methyl-1,1-dioxo-3-thiolanyl]-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: 1,3-dimethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 1,3-dimethyl-N-[(3S)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H20N4O3S2
MOLECULAR WEIGHT: 404.5064
SMILES: CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)N[C@]4(CCS(=O)(=O)C4)C)C
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Product OPENEYE NAME: 1,3-dimethyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: 1,3-dimethyl-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: 1,3-dimethyl-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: 1,3-dimethyl-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H20N4O3S2
MOLECULAR WEIGHT: 404.5064
SMILES: CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)N[C@@]4(CCS(=O)(=O)C4)C)C
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Product OPENEYE NAME: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C20H27N3O3S
MOLECULAR WEIGHT: 389.51168
SMILES: C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2
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Product OPENEYE NAME: [(1R)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C20H27N3O3S
MOLECULAR WEIGHT: 389.51168
SMILES: C[C@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2
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Product OPENEYE NAME: (3-methylisoxazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (3-methyl-5-isoxazolyl)methyl ester
IUPAC NAME: (3-methyl-1,2-oxazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (3-methyl-1,2-oxazol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CC1=NOC(=C1)COC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3
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Product OPENEYE NAME: N-butyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CAS Name: N-butyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide
IUPAC NAME: N-butyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-butyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C19H26N2O2
MOLECULAR WEIGHT: 314.42194
SMILES: CCCCNC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2
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Product OPENEYE NAME: (E)-3-[5-(4-bromophenyl)-2-thienyl]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]prop-2-enamide
CAS Name: (E)-3-[5-(4-bromophenyl)-2-thiophenyl]-N-[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]-2-propenamide
IUPAC NAME: (E)-3-[5-(4-bromophenyl)thiophen-2-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[5-(4-bromophenyl)thiophen-2-yl]-N-[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]prop-2-enamide
MOLECULAR FORMULA: C18H18BrNO3S2
MOLECULAR WEIGHT: 440.37442
SMILES: C[C@]1(CCS(=O)(=O)C1)NC(=O)/C=C/C2=CC=C(S2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester
IUPAC NAME: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SYSTEMATIC NAME: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate
MOLECULAR FORMULA: C19H15ClN2O4S
MOLECULAR WEIGHT: 402.8514
SMILES: CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)C#N
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