Product OPENEYE NAME: ethyl (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
CAS Name: (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-azanyl-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: CCOC(=O)C1=C(OC(=C([C@@H]1C2COC(O2)(C)C)C#N)C3=CC=CC=C3)N
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Product OPENEYE NAME: ethyl (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
CAS Name: (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-2-amino-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-azanyl-5-cyano-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-phenyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: CCOC(=O)C1=C(OC(=C([C@H]1C2COC(O2)(C)C)C#N)C3=CC=CC=C3)N
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Product OPENEYE NAME: 1-(3,5-dimethylisoxazol-4-yl)pentan-1-one
CAS Name: 1-(3,5-dimethyl-4-isoxazolyl)-1-pentanone
IUPAC NAME: 1-(3,5-dimethyl-1,2-oxazol-4-yl)pentan-1-one
SYSTEMATIC NAME: 1-(3,5-dimethyl-1,2-oxazol-4-yl)pentan-1-one
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CCCCC(=O)C1=C(ON=C1C)C
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MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CC(=O)N1CCCCCC2=C(CC1)C3=CC=CC=C3N2
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MOLECULAR FORMULA: C15H20N2
MOLECULAR WEIGHT: 228.3327
SMILES: C1CCC2=C(CCNCC1)C3=CC=CC=C3N2
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Product OPENEYE NAME: 5-(phenoxymethyl)-6H-imidazo[4,5-d]pyridazin-4-one
CAS Name: 5-(phenoxymethyl)-6H-imidazo[4,5-d]pyridazin-4-one
IUPAC NAME: 5-(phenoxymethyl)-6H-imidazo[4,5-d]pyridazin-4-one
SYSTEMATIC NAME: 5-(phenoxymethyl)-6H-imidazo[4,5-d]pyridazin-4-one
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: C1=CC=C(C=C1)OCN2C(=O)C3=NC=NC3=CN2
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Product OPENEYE NAME: (Z)-1-tert-butoxy-2-(4-diazonio-1-methyl-2,5-dioxo-pyrrol-3-yl)ethenolate
CAS Name: (Z)-2-(4-diazonio-1-methyl-2,5-dioxo-3-pyrrolyl)-1-[(2-methylpropan-2-yl)oxy]ethenolate
IUPAC NAME: (Z)-2-(4-diazonio-1-methyl-2,5-dioxopyrrol-3-yl)-1-[(2-methylpropan-2-yl)oxy]ethenolate
SYSTEMATIC NAME: (Z)-2-[4-diazonio-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-1-[(2-methylpropan-2-yl)oxy]ethenolate
MOLECULAR FORMULA: C11H13N3O4
MOLECULAR WEIGHT: 251.23862
SMILES: CC(C)(C)O/C(=C\C1=C(C(=O)N(C1=O)C)[N+]#N)/[O-]
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Product OPENEYE NAME: 4-[(Z)-2-tert-butoxy-2-hydroxy-vinyl]-1-methyl-2,5-dioxo-pyrrole-3-diazonium
CAS Name: 4-[(Z)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-1-methyl-2,5-dioxo-3-pyrrolediazonium
IUPAC NAME: 4-[(Z)-2-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethenyl]-1-methyl-2,5-dioxopyrrole-3-diazonium
SYSTEMATIC NAME: 1-methyl-4-[(Z)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-ethenyl]-2,5-bis(oxidanylidene)pyrrole-3-diazonium
MOLECULAR FORMULA: C11H14N3O4+
MOLECULAR WEIGHT: 252.24656
SMILES: CC(C)(C)O/C(=C\C1=C(C(=O)N(C1=O)C)[N+]#N)/O
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Product OPENEYE NAME: methyl 2-(4-tert-butylphenyl)-2-(2-cyano-3-fluoro-phenyl)acetate
CAS Name: 2-(4-tert-butylphenyl)-2-(2-cyano-3-fluorophenyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(4-tert-butylphenyl)-2-(2-cyano-3-fluorophenyl)acetate
SYSTEMATIC NAME: methyl 2-(4-tert-butylphenyl)-2-(2-cyano-3-fluoranyl-phenyl)ethanoate
MOLECULAR FORMULA: C20H20FNO2
MOLECULAR WEIGHT: 325.376703
SMILES: CC(C)(C)C1=CC=C(C=C1)C(C2=C(C(=CC=C2)F)C#N)C(=O)OC
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Product OPENEYE NAME: methyl 2-(4-chlorophenyl)-2-(2-cyano-3-fluoro-phenyl)acetate
CAS Name: 2-(4-chlorophenyl)-2-(2-cyano-3-fluorophenyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(4-chlorophenyl)-2-(2-cyano-3-fluorophenyl)acetate
SYSTEMATIC NAME: methyl 2-(4-chlorophenyl)-2-(2-cyano-3-fluoranyl-phenyl)ethanoate
MOLECULAR FORMULA: C16H11ClFNO2
MOLECULAR WEIGHT: 303.715443
SMILES: COC(=O)C(C1=CC=C(C=C1)Cl)C2=C(C(=CC=C2)F)C#N
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Product OPENEYE NAME: methyl 2-(4-bromophenyl)-2-(2-cyano-3-fluoro-phenyl)acetate
CAS Name: 2-(4-bromophenyl)-2-(2-cyano-3-fluorophenyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(4-bromophenyl)-2-(2-cyano-3-fluorophenyl)acetate
SYSTEMATIC NAME: methyl 2-(4-bromophenyl)-2-(2-cyano-3-fluoranyl-phenyl)ethanoate
MOLECULAR FORMULA: C16H11BrFNO2
MOLECULAR WEIGHT: 348.166443
SMILES: COC(=O)C(C1=CC=C(C=C1)Br)C2=C(C(=CC=C2)F)C#N
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Product OPENEYE NAME: methyl 2-(2-cyano-3-fluoro-phenyl)-2-(4-methoxyphenyl)acetate
CAS Name: 2-(2-cyano-3-fluorophenyl)-2-(4-methoxyphenyl)acetic acid methyl ester
IUPAC NAME: methyl 2-(2-cyano-3-fluorophenyl)-2-(4-methoxyphenyl)acetate
SYSTEMATIC NAME: methyl 2-(2-cyano-3-fluoranyl-phenyl)-2-(4-methoxyphenyl)ethanoate
MOLECULAR FORMULA: C17H14FNO3
MOLECULAR WEIGHT: 299.296363
SMILES: COC1=CC=C(C=C1)C(C2=C(C(=CC=C2)F)C#N)C(=O)OC
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Product OPENEYE NAME: tert-butyl 1-(adamantane-1-carbonyl)-5-oxo-pyrrolidine-2-carboxylate
CAS Name: 1-[1-adamantyl(oxo)methyl]-5-oxo-2-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 1-(adamantane-1-carbonyl)-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: tert-butyl 1-(1-adamantylcarbonyl)-5-oxidanylidene-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C20H29NO4
MOLECULAR WEIGHT: 347.44856
SMILES: CC(C)(C)OC(=O)C1CCC(=O)N1C(=O)C23CC4CC(C2)CC(C4)C3
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Product OPENEYE NAME: tert-butyl 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxo-pyrrolidine-2-carboxylate
CAS Name: 5-oxo-1-[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]-2-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: tert-butyl 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxidanylidene-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C27H45NO4
MOLECULAR WEIGHT: 447.6505
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1C(CCC1=O)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxo-pyrrolidine-2-carboxylic acid
CAS Name: 5-oxo-1-[(9Z,12Z)-1-oxooctadeca-9,12-dienyl]-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(9Z,12Z)-octadeca-9,12-dienoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C23H37NO4
MOLECULAR WEIGHT: 391.54418
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)N1C(CCC1=O)C(=O)O
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Product OPENEYE NAME: (2S)-2-[[4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanylmethyl]cyclobutyl]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[4-[2-[[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]methyl]cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanylmethyl]cyclobutyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanylmethyl]cyclobutyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H25N5O6S
MOLECULAR WEIGHT: 475.5181
SMILES: C1CC(C1CSC2=C(NC(=NC2=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C27H43NO6Si
MOLECULAR WEIGHT: 505.71892
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CO[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[2-(acetylsulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[2-[(acetylthio)methyl]cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[2-(acetylsulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[2-(ethanoylsulfanylmethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C23H31NO6S
MOLECULAR WEIGHT: 449.56034
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CSC(=O)C
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[2-(bromomethyl)cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[2-(bromomethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C21H28BrNO5
MOLECULAR WEIGHT: 454.35472
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CBr
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[2-(hydroxymethyl)cyclobutyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[2-(hydroxymethyl)cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[2-(hydroxymethyl)cyclobutyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[2-(hydroxymethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C21H29NO6
MOLECULAR WEIGHT: 391.45806
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CO
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Product OPENEYE NAME: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate
CAS Name: (2S)-2-[[[4-[2-(mercaptomethyl)cyclobutyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
IUPAC NAME: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl (2S)-2-[[4-[2-(sulfanylmethyl)cyclobutyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C21H29NO5S
MOLECULAR WEIGHT: 407.52366
SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)C2CCC2CS
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