Product OPENEYE NAME: methyl 4-[hydroxy(diphenyl)methyl]benzoate
CAS Name: 4-[hydroxy(diphenyl)methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[hydroxy(diphenyl)methyl]benzoate
SYSTEMATIC NAME: methyl 4-[oxidanyl(diphenyl)methyl]benzoate
MOLECULAR FORMULA: C21H18O3
MOLECULAR WEIGHT: 318.36582
SMILES: COC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]dodecanamide
CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]dodecanamide
IUPAC NAME: N-[(2-methyl-5-nitrophenyl)carbamothioyl]dodecanamide
SYSTEMATIC NAME: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]dodecanamide
MOLECULAR FORMULA: C20H31N3O3S
MOLECULAR WEIGHT: 393.54344
SMILES: CCCCCCCCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C
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Product OPENEYE NAME: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-propanamide
CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methylpropanamide
IUPAC NAME: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methylpropanamide
SYSTEMATIC NAME: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-methyl-propanamide
MOLECULAR FORMULA: C11H10F3N3O5
MOLECULAR WEIGHT: 321.20941
SMILES: CCC(=O)N(C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-methylsulfanyl-1,3-benzoxazole
CAS Name: 2-(methylthio)-1,3-benzoxazole
IUPAC NAME: 2-methylsulfanyl-1,3-benzoxazole
SYSTEMATIC NAME: 2-methylsulfanyl-1,3-benzoxazole
MOLECULAR FORMULA: C8H7NOS
MOLECULAR WEIGHT: 165.21228
SMILES: CSC1=NC2=CC=CC=C2O1
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Product OPENEYE NAME: 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
CAS Name: 2-[[(2,3-dichloroanilino)-oxomethyl]amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
IUPAC NAME: 2-[(2,3-dichlorophenyl)carbamoylamino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[[2,3-bis(chloranyl)phenyl]carbamoylamino]-N-[(3,4-dimethoxyphenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C18H18Cl2N4O4
MOLECULAR WEIGHT: 425.26592
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)CNC(=O)NC2=C(C(=CC=C2)Cl)Cl)OC
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Product OPENEYE NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-dimethyl-propyl-ammonium
CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethyl-propylammonium
IUPAC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-dimethyl-propylazanium
SYSTEMATIC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]-dimethyl-propyl-azanium
MOLECULAR FORMULA: C15H22NO3+
MOLECULAR WEIGHT: 264.34008
SMILES: CCC[N+](C)(C)CC(=O)C1=CC2=C(C=C1)OCCO2
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Product OPENEYE NAME: ethyl 2-[3-[(4-allyloxy-2-methyl-phenyl)-hydroxy-methylene]-2-(4-allyloxyphenyl)-4,5-dioxo-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
CAS Name: 2-[4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-[4-[(2-methyl-4-prop-2-enoxy-phenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-(4-prop-2-enoxyphenyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C31H30N2O7S
MOLECULAR WEIGHT: 574.6441
SMILES: CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=C(C=C(C=C3)OCC=C)C)O)C(=O)C2=O)C4=CC=C(C=C4)OCC=C)C
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Product OPENEYE NAME: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CAS Name: 3-(2,4-dichlorophenyl)-2-propenoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
SYSTEMATIC NAME: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
MOLECULAR FORMULA: C16H11Cl3N2O3
MOLECULAR WEIGHT: 385.62914
SMILES: C1=CC(=C(N=C1)Cl)NC(=O)COC(=O)C=CC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 3-(4-methoxyphenyl)-1-(2-methyl-1-piperidyl)propan-1-one
CAS Name: 3-(4-methoxyphenyl)-1-(2-methyl-1-piperidinyl)-1-propanone
IUPAC NAME: 3-(4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CC1CCCCN1C(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]propanamide
CAS Name: 2-(2,4-dichlorophenoxy)-N-[4-(4-nitrophenyl)-2-thiazolyl]propanamide
IUPAC NAME: 2-(2,4-dichlorophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
MOLECULAR FORMULA: C18H13Cl2N3O4S
MOLECULAR WEIGHT: 438.28452
SMILES: CC(C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-(dodecanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CAS Name: 2-(1-oxododecylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
IUPAC NAME: 2-(dodecanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SYSTEMATIC NAME: 2-(dodecanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
MOLECULAR FORMULA: C23H38N2O2S
MOLECULAR WEIGHT: 406.62502
SMILES: CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)N
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Product OPENEYE NAME: 1-benzyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium
CAS Name: 4-[(4-nitrophenyl)methyl]-1-(phenylmethyl)pyridin-1-ium
IUPAC NAME: 1-benzyl-4-[(4-nitrophenyl)methyl]pyridin-1-ium
SYSTEMATIC NAME: 4-[(4-nitrophenyl)methyl]-1-(phenylmethyl)pyridin-1-ium
MOLECULAR FORMULA: C19H17N2O2+
MOLECULAR WEIGHT: 305.35048
SMILES: C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-4-ethoxy-benzamide
CAS Name: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
IUPAC NAME: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
SYSTEMATIC NAME: N-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-4-ethoxy-benzamide
MOLECULAR FORMULA: C17H17BrN2O3
MOLECULAR WEIGHT: 377.23248
SMILES: CCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC
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Product OPENEYE NAME: N-(2-morpholino-5-morpholinosulfonyl-phenyl)-2-(1-norbornan-2-ylethylamino)acetamide
CAS Name: 2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]acetamide
IUPAC NAME: 2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
SYSTEMATIC NAME: 2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide
MOLECULAR FORMULA: C25H38N4O5S
MOLECULAR WEIGHT: 506.65802
SMILES: CC(C1CC2CCC1C2)NCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5
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Product OPENEYE NAME: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester
IUPAC NAME: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate
MOLECULAR FORMULA: C23H21N5O5S
MOLECULAR WEIGHT: 479.50834
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC=CC=C3SC4=CC=CC=C4
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Product OPENEYE NAME: 2-[[2-[2-[(4-morpholinophenyl)methylene]hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid
CAS Name: 2-[[2-[2-[[4-(4-morpholinyl)phenyl]methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
IUPAC NAME: 2-[[2-[2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
SYSTEMATIC NAME: 2-[[2-[2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-5-nitro-phenyl]sulfonylamino]benzoic acid
MOLECULAR FORMULA: C24H23N5O7S
MOLECULAR WEIGHT: 525.53372
SMILES: C1COCCN1C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=CC=C4C(=O)O
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Product OPENEYE NAME: dimethyl-(2,3,4,5,6-pentahydroxyhexyl)-tetradecyl-ammonium
CAS Name: dimethyl-(2,3,4,5,6-pentahydroxyhexyl)-tetradecylammonium
IUPAC NAME: dimethyl-(2,3,4,5,6-pentahydroxyhexyl)-tetradecylazanium
SYSTEMATIC NAME: dimethyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]-tetradecyl-azanium
MOLECULAR FORMULA: C22H48NO5+
MOLECULAR WEIGHT: 406.62022
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC(C(C(C(CO)O)O)O)O
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Product OPENEYE NAME: 3-(4-isopropylphenyl)-3H-isobenzofuran-1-one
CAS Name: 3-(4-propan-2-ylphenyl)-3H-isobenzofuran-1-one
IUPAC NAME: 3-(4-propan-2-ylphenyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(4-propan-2-ylphenyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C17H16O2
MOLECULAR WEIGHT: 252.30774
SMILES: CC(C)C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2
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Product OPENEYE NAME: N1,N2-bis[4-[ethyl(2-hydroxyethyl)amino]phenyl]-3-methylene-cyclopropane-1,2-dicarboxamide
CAS Name: N1,N2-bis[4-[ethyl(2-hydroxyethyl)amino]phenyl]-3-methylenecyclopropane-1,2-dicarboxamide
IUPAC NAME: 1-N,2-N-bis[4-[ethyl(2-hydroxyethyl)amino]phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide
SYSTEMATIC NAME: N1,N2-bis[4-[ethyl(2-hydroxyethyl)amino]phenyl]-3-methylidene-cyclopropane-1,2-dicarboxamide
MOLECULAR FORMULA: C26H34N4O4
MOLECULAR WEIGHT: 466.57256
SMILES: CCN(CCO)C1=CC=C(C=C1)NC(=O)C2C(C2=C)C(=O)NC3=CC=C(C=C3)N(CC)CCO
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Product OPENEYE NAME: 3-[5-(4-bromophenyl)-2-furyl]-2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]prop-2-enenitrile
CAS Name: 3-[5-(4-bromophenyl)-2-furanyl]-2-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-2-propenenitrile
IUPAC NAME: 3-[5-(4-bromophenyl)furan-2-yl]-2-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]prop-2-enenitrile
SYSTEMATIC NAME: 3-[5-(4-bromophenyl)furan-2-yl]-2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C26H18BrFN2O2
MOLECULAR WEIGHT: 489.335723
SMILES: CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N
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