Product OPENEYE NAME: 1-isobutylpyridin-1-ium
CAS Name: 1-(2-methylpropyl)pyridin-1-ium
IUPAC NAME: 1-(2-methylpropyl)pyridin-1-ium
SYSTEMATIC NAME: 1-(2-methylpropyl)pyridin-1-ium
MOLECULAR FORMULA: C9H14N+
MOLECULAR WEIGHT: 136.21416
SMILES: CC(C)C[N+]1=CC=CC=C1
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Product OPENEYE NAME: (1E,3E)-1-methoxy-3-pyrrolidin-1-yl-penta-1,3-dien-1-ol
CAS Name: (1E,3E)-1-methoxy-3-(1-pyrrolidinyl)-1-penta-1,3-dienol
IUPAC NAME: (1E,3E)-1-methoxy-3-pyrrolidin-1-ylpenta-1,3-dien-1-ol
SYSTEMATIC NAME: (1E,3E)-1-methoxy-3-pyrrolidin-1-yl-penta-1,3-dien-1-ol
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: C/C=C(\C=C(/O)\OC)/N1CCCC1
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Product OPENEYE NAME: (2S,3R)-2-isopropyl-3-methyl-4-pyrrolidin-1-yl-2,3-dihydropyran-6-one
CAS Name: (2S,3R)-3-methyl-2-propan-2-yl-4-(1-pyrrolidinyl)-2,3-dihydropyran-6-one
IUPAC NAME: (2S,3R)-3-methyl-2-propan-2-yl-4-pyrrolidin-1-yl-2,3-dihydropyran-6-one
SYSTEMATIC NAME: (2S,3R)-3-methyl-2-propan-2-yl-4-pyrrolidin-1-yl-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: C[C@H]1[C@@H](OC(=O)C=C1N2CCCC2)C(C)C
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Product OPENEYE NAME: methyl 2,2-dimethyl-4-oxo-butanoate
CAS Name: 2,2-dimethyl-4-oxobutanoic acid methyl ester
IUPAC NAME: methyl 2,2-dimethyl-4-oxobutanoate
SYSTEMATIC NAME: methyl 2,2-dimethyl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CC(C)(CC=O)C(=O)OC
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Product OPENEYE NAME: N-(2-chlorophenyl)-5-methyl-4,5-dihydrothiazol-2-amine
CAS Name: N-(2-chlorophenyl)-5-methyl-4,5-dihydrothiazol-2-amine
IUPAC NAME: N-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H11ClN2S
MOLECULAR WEIGHT: 226.72574
SMILES: CC1CN=C(S1)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: hydroxy-methyl-phenoxy-thioxo-$l^{5}-phosphane
CAS Name: hydroxy-methyl-phenoxy-sulfanylidenephosphorane
IUPAC NAME: hydroxy-methyl-phenoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: methyl-oxidanyl-phenoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C7H9O2PS
MOLECULAR WEIGHT: 188.183921
SMILES: CP(=S)(O)OC1=CC=CC=C1
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Product OPENEYE NAME: methyl (9Z,15Z)-octadeca-9,15-dienoate
CAS Name: (9Z,15Z)-octadeca-9,15-dienoic acid methyl ester
IUPAC NAME: methyl (9Z,15Z)-octadeca-9,15-dienoate
SYSTEMATIC NAME: methyl (9Z,15Z)-octadeca-9,15-dienoate
MOLECULAR FORMULA: C19H34O2
MOLECULAR WEIGHT: 294.47206
SMILES: CC/C=C\CCCC/C=C\CCCCCCCC(=O)OC
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Product OPENEYE NAME: 5-(bromomethylene)nonane
CAS Name: 5-(bromomethylidene)nonane
IUPAC NAME: 5-(bromomethylidene)nonane
SYSTEMATIC NAME: 5-(bromanylmethylidene)nonane
MOLECULAR FORMULA: C10H19Br
MOLECULAR WEIGHT: 219.16186
SMILES: CCCCC(=CBr)CCCC
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Product OPENEYE NAME: 5-(chloromethylene)nonane
CAS Name: 5-(chloromethylidene)nonane
IUPAC NAME: 5-(chloromethylidene)nonane
SYSTEMATIC NAME: 5-(chloranylmethylidene)nonane
MOLECULAR FORMULA: C10H19Cl
MOLECULAR WEIGHT: 174.71086
SMILES: CCCCC(=CCl)CCCC
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Product OPENEYE NAME: 5,8-dibutyldodeca-5,7-diene
CAS Name: 5,8-dibutyldodeca-5,7-diene
IUPAC NAME: 5,8-dibutyldodeca-5,7-diene
SYSTEMATIC NAME: 5,8-dibutyldodeca-5,7-diene
MOLECULAR FORMULA: C20H38
MOLECULAR WEIGHT: 278.51572
SMILES: CCCCC(=CC=C(CCCC)CCCC)CCCC
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Product OPENEYE NAME: [3-(cyclohexylmethyl)-2-methylene-but-3-enyl]cyclohexane
CAS Name: [3-(cyclohexylmethyl)-2-methylenebut-3-enyl]cyclohexane
IUPAC NAME: [3-(cyclohexylmethyl)-2-methylidenebut-3-enyl]cyclohexane
SYSTEMATIC NAME: [3-(cyclohexylmethyl)-2-methylidene-but-3-enyl]cyclohexane
MOLECULAR FORMULA: C18H30
MOLECULAR WEIGHT: 246.4308
SMILES: C=C(CC1CCCCC1)C(=C)CC2CCCCC2
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Product OPENEYE NAME: (5-cyclohexyl-2-methylene-pent-3-ynyl)cyclohexane
CAS Name: (5-cyclohexyl-2-methylenepent-3-ynyl)cyclohexane
IUPAC NAME: (5-cyclohexyl-2-methylidenepent-3-ynyl)cyclohexane
SYSTEMATIC NAME: (5-cyclohexyl-2-methylidene-pent-3-ynyl)cyclohexane
MOLECULAR FORMULA: C18H28
MOLECULAR WEIGHT: 244.41492
SMILES: C=C(CC1CCCCC1)C#CCC2CCCCC2
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Product OPENEYE NAME: 1,2-dimethyl-3-phenoxy-benzene
CAS Name: 1,2-dimethyl-3-phenoxybenzene
IUPAC NAME: 1,2-dimethyl-3-phenoxybenzene
SYSTEMATIC NAME: 1,2-dimethyl-3-phenoxy-benzene
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: CC1=C(C(=CC=C1)OC2=CC=CC=C2)C
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Product OPENEYE NAME: 4-pyrrolidin-2-ylpyrimidine
CAS Name: 4-(2-pyrrolidinyl)pyrimidine
IUPAC NAME: 4-pyrrolidin-2-ylpyrimidine
SYSTEMATIC NAME: 4-pyrrolidin-2-ylpyrimidine
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: C1CC(NC1)C2=NC=NC=C2
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Product OPENEYE NAME: 2-(1-methylpyrrolidin-2-yl)pyrazine
CAS Name: 2-(1-methyl-2-pyrrolidinyl)pyrazine
IUPAC NAME: 2-(1-methylpyrrolidin-2-yl)pyrazine
SYSTEMATIC NAME: 2-(1-methylpyrrolidin-2-yl)pyrazine
MOLECULAR FORMULA: C9H13N3
MOLECULAR WEIGHT: 163.21962
SMILES: CN1CCCC1C2=NC=CN=C2
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Product OPENEYE NAME: ethyl pyrimidine-4-carboxylate
CAS Name: 4-pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl pyrimidine-4-carboxylate
SYSTEMATIC NAME: ethyl pyrimidine-4-carboxylate
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: CCOC(=O)C1=NC=NC=C1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8O2
MOLECULAR WEIGHT: 196.20142
SMILES: C1=CC2=C3C(=C1)C=CC(=O)OC3=CC=C2
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Product OPENEYE NAME: N-(4-methoxyphenyl)propan-2-imine
CAS Name: N-(4-methoxyphenyl)-2-propanimine
IUPAC NAME: N-(4-methoxyphenyl)propan-2-imine
SYSTEMATIC NAME: N-(4-methoxyphenyl)propan-2-imine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC(=NC1=CC=C(C=C1)OC)C
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Product OPENEYE NAME: 3-chloro-1-(4-fluorophenyl)propan-1-ol
CAS Name: 3-chloro-1-(4-fluorophenyl)-1-propanol
IUPAC NAME: 3-chloro-1-(4-fluorophenyl)propan-1-ol
SYSTEMATIC NAME: 3-chloranyl-1-(4-fluorophenyl)propan-1-ol
MOLECULAR FORMULA: C9H10ClFO
MOLECULAR WEIGHT: 188.626503
SMILES: C1=CC(=CC=C1C(CCCl)O)F
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Product OPENEYE NAME: benzyl 2,3-dimethyl-6-phenyl-5-azabicyclo[2.2.0]hex-2-ene-5-carboxylate
CAS Name: 2,3-dimethyl-6-phenyl-5-azabicyclo[2.2.0]hex-2-ene-5-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2,3-dimethyl-6-phenyl-5-azabicyclo[2.2.0]hex-2-ene-5-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,3-dimethyl-6-phenyl-5-azabicyclo[2.2.0]hex-2-ene-5-carboxylate
MOLECULAR FORMULA: C21H21NO2
MOLECULAR WEIGHT: 319.39694
SMILES: CC1=C(C2C1C(N2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 5-phenyl-1,4-oxazepine
CAS Name: 5-phenyl-1,4-oxazepine
IUPAC NAME: 5-phenyl-1,4-oxazepine
SYSTEMATIC NAME: 5-phenyl-1,4-oxazepine
MOLECULAR FORMULA: C11H9NO
MOLECULAR WEIGHT: 171.19526
SMILES: C1=CC=C(C=C1)C2=NC=COC=C2
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Product OPENEYE NAME: 7-methyl-5-phenyl-1,4-oxazepine
CAS Name: 7-methyl-5-phenyl-1,4-oxazepine
IUPAC NAME: 7-methyl-5-phenyl-1,4-oxazepine
SYSTEMATIC NAME: 7-methyl-5-phenyl-1,4-oxazepine
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CC1=CC(=NC=CO1)C2=CC=CC=C2
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