Product OPENEYE NAME: 2-(4-chlorophenoxy)ethyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid 2-(4-chlorophenoxy)ethyl ester
IUPAC NAME: 2-(4-chlorophenoxy)ethyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)ethyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H15ClO5
MOLECULAR WEIGHT: 358.7724
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [(1S)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: C[C@@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: benzhydryl-methyl-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]ammonium
IUPAC NAME: benzhydryl-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
MOLECULAR FORMULA: C24H24N3O+
MOLECULAR WEIGHT: 370.46686
SMILES: CC1=CN2C(=NC(=CC2=O)C[NH+](C)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1
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Product OPENEYE NAME: 2-[[benzhydryl(methyl)amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one
CAS Name: 2-[[(diphenylmethyl)-methylamino]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 2-[[benzhydryl(methyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-[[(diphenylmethyl)-methyl-amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C24H23N3O
MOLECULAR WEIGHT: 369.45892
SMILES: CC1=CN2C(=NC(=CC2=O)CN(C)C(C3=CC=CC=C3)C4=CC=CC=C4)C=C1
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Product OPENEYE NAME: 1-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
CAS Name: 1-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone
IUPAC NAME: 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
SYSTEMATIC NAME: 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
MOLECULAR FORMULA: C20H25N3OS
MOLECULAR WEIGHT: 355.497
SMILES: C[C@@H]1CCC[C@@H](N1C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(1R)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-[[(2S)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C13H17FN4OS2
MOLECULAR WEIGHT: 328.428683
SMILES: C1C[C@H](OC1)CNC(=S)NNC(=S)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid 2-(4-methylphenoxy)ethyl ester
IUPAC NAME: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1=CC=C(C=C1)OCCOC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-3-[[(2R)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C13H17FN4OS2
MOLECULAR WEIGHT: 328.428683
SMILES: C1C[C@@H](OC1)CNC(=S)NNC(=S)NC2=CC=C(C=C2)F
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Product OPENEYE NAME: [(1S)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: C[C@@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)[C@H]3CCCO3
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Product OPENEYE NAME: 2-(3-methylphenoxy)ethyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid 2-(3-methylphenoxy)ethyl ester
IUPAC NAME: 2-(3-methylphenoxy)ethyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: 2-(3-methylphenoxy)ethyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: N-(4-chloro-3-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-chloranyl-3-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H15ClN4O3S
MOLECULAR WEIGHT: 414.8654
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: benzhydryl-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium
IUPAC NAME: benzhydryl-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium
MOLECULAR FORMULA: C25H24NO3+
MOLECULAR WEIGHT: 386.46296
SMILES: C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)OC)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[[benzhydryl(methyl)amino]methyl]-7-methoxy-chromen-2-one
CAS Name: 4-[[(diphenylmethyl)-methylamino]methyl]-7-methoxy-1-benzopyran-2-one
IUPAC NAME: 4-[[benzhydryl(methyl)amino]methyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 4-[[(diphenylmethyl)-methyl-amino]methyl]-7-methoxy-chromen-2-one
MOLECULAR FORMULA: C25H23NO3
MOLECULAR WEIGHT: 385.45502
SMILES: CN(CC1=CC(=O)OC2=C1C=CC(=C2)OC)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [(1R)-2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)[C@H]3CCCO3
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Product OPENEYE NAME: N-(4-chloro-2-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(4-chloro-2-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-chloranyl-2-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H15ClN4O3S
MOLECULAR WEIGHT: 414.8654
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-cyano-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-cyano-4-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-cyano-4-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H15N5O3S
MOLECULAR WEIGHT: 405.4298
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
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Product OPENEYE NAME: [(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H21NO5
MOLECULAR WEIGHT: 379.40584
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC=C(C=C1)CNC(=O)[C@@H](C)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: benzhydryl-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C22H28N3O2+
MOLECULAR WEIGHT: 366.47662
SMILES: C[NH+](CC(=O)NC(=O)NC1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(cyclopentylcarbamoyl)acetamide
CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(cyclopentylcarbamoyl)acetamide
SYSTEMATIC NAME: N-(cyclopentylcarbamoyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C22H27N3O2
MOLECULAR WEIGHT: 365.46868
SMILES: CN(CC(=O)NC(=O)NC1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H19NO7
MOLECULAR WEIGHT: 409.38876
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4
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