Product OPENEYE NAME: 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid 3,7-dimethylocta-2,6-dienyl ester
IUPAC NAME: 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate
SYSTEMATIC NAME: 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC(C)CC(=O)OCC=C(C)CCC=C(C)C
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Product OPENEYE NAME: hepta-3,5-dien-2-one
CAS Name: 2-hepta-3,5-dienone
IUPAC NAME: hepta-3,5-dien-2-one
SYSTEMATIC NAME: hepta-3,5-dien-2-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC=CC=CC(=O)C
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Product OPENEYE NAME: N,N-dimethyl-2-tetralin-5-yl-acetamide
CAS Name: N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
IUPAC NAME: N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanamide
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CN(C)C(=O)CC1=CC=CC2=C1CCCC2
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Product OPENEYE NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-hexahydropyrimidine-2,4,6-trione dihydrochloride
CAS Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione dihydrochloride
IUPAC NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione dihydrochloride
SYSTEMATIC NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione dihydrochloride
MOLECULAR FORMULA: C24H40Cl2N4O3
MOLECULAR WEIGHT: 503.5054
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)CC.Cl.Cl
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Product OPENEYE NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-bis[4-(diethylamino)but-2-ynyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C24H38N4O3
MOLECULAR WEIGHT: 430.58352
SMILES: CCC1(C(=O)N(C(=O)N(C1=O)CC#CCN(CC)CC)CC#CCN(CC)CC)CC
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Product OPENEYE NAME: (2-ethoxy-2-oxo-ethoxy)ammonium chloride
CAS Name: (2-ethoxy-2-oxoethoxy)ammonium chloride
IUPAC NAME: (2-ethoxy-2-oxoethoxy)azanium chloride
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethoxy)azanium chloride
MOLECULAR FORMULA: C4H10ClNO3
MOLECULAR WEIGHT: 155.5801
SMILES: CCOC(=O)CO[NH3+].[Cl-]
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Product OPENEYE NAME: ethyl 2-aminooxyacetate
CAS Name: 2-aminooxyacetic acid ethyl ester
IUPAC NAME: ethyl 2-aminooxyacetate
SYSTEMATIC NAME: ethyl 2-azanyloxyethanoate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CCOC(=O)CON
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Product OPENEYE NAME: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-1,3-benzoxazole chloride
IUPAC NAME: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
SYSTEMATIC NAME: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzoxazole chloride
MOLECULAR FORMULA: C14H19ClN2OS
MOLECULAR WEIGHT: 298.83146
SMILES: C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3O2.[Cl-]
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Product OPENEYE NAME: 2-[2-(1-piperidyl)ethylsulfanyl]-1,3-benzoxazole
CAS Name: 2-[2-(1-piperidinyl)ethylthio]-1,3-benzoxazole
IUPAC NAME: 2-(2-piperidin-1-ylethylsulfanyl)-1,3-benzoxazole
SYSTEMATIC NAME: 2-(2-piperidin-1-ylethylsulfanyl)-1,3-benzoxazole
MOLECULAR FORMULA: C14H18N2OS
MOLECULAR WEIGHT: 262.37052
SMILES: C1CCN(CC1)CCSC2=NC3=CC=CC=C3O2
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Product OPENEYE NAME: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]ammonium iodide
CAS Name: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]ammonium iodide
IUPAC NAME: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[4-(2-oxidanylidenecyclopentyl)but-2-ynyl]azanium iodide
MOLECULAR FORMULA: C12H20INO
MOLECULAR WEIGHT: 321.19777
SMILES: C[N+](C)(C)CC#CCC1CCCC1=O.[I-]
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Product OPENEYE NAME: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]ammonium
CAS Name: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]ammonium
IUPAC NAME: trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]azanium
SYSTEMATIC NAME: trimethyl-[4-(2-oxidanylidenecyclopentyl)but-2-ynyl]azanium
MOLECULAR FORMULA: C12H20NO+
MOLECULAR WEIGHT: 194.2933
SMILES: C[N+](C)(C)CC#CCC1CCCC1=O
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Product OPENEYE NAME: 2-hydroxy-2-oxo-acetate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one
CAS Name: 2-hydroxy-2-oxoacetate; 7-(1-pyrrolidin-1-iumyl)-5-heptyn-2-one
IUPAC NAME: 2-hydroxy-2-oxoacetate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one
SYSTEMATIC NAME: 2-oxidanyl-2-oxidanylidene-ethanoate; 7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CC(=O)CCC#CC[NH+]1CCCC1.C(=O)(C(=O)[O-])O
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Product OPENEYE NAME: 7-pyrrolidin-1-ylhept-5-yn-2-one
CAS Name: 7-(1-pyrrolidinyl)-5-heptyn-2-one
IUPAC NAME: 7-pyrrolidin-1-ylhept-5-yn-2-one
SYSTEMATIC NAME: 7-pyrrolidin-1-ylhept-5-yn-2-one
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC(=O)CCC#CCN1CCCC1
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Product OPENEYE NAME: dimethyl(6-oxohept-2-ynyl)ammonium; 2-hydroxy-2-oxo-acetate
CAS Name: dimethyl(6-oxohept-2-ynyl)ammonium; 2-hydroxy-2-oxoacetate
IUPAC NAME: dimethyl(6-oxohept-2-ynyl)azanium; 2-hydroxy-2-oxoacetate
SYSTEMATIC NAME: dimethyl(6-oxidanylidenehept-2-ynyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C11H17NO5
MOLECULAR WEIGHT: 243.25638
SMILES: CC(=O)CCC#CC[NH+](C)C.C(=O)(C(=O)[O-])O
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