Product OPENEYE NAME: 2,5-dimethylhex-2-ene
CAS Name: 2,5-dimethyl-2-hexene
IUPAC NAME: 2,5-dimethylhex-2-ene
SYSTEMATIC NAME: 2,5-dimethylhex-2-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(C)CC=C(C)C
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Product OPENEYE NAME: 1,2,3,4-tetrachlorobutane
CAS Name: 1,2,3,4-tetrachlorobutane
IUPAC NAME: 1,2,3,4-tetrachlorobutane
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)butane
MOLECULAR FORMULA: C4H6Cl4
MOLECULAR WEIGHT: 195.90244
SMILES: C(C(C(CCl)Cl)Cl)Cl
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Product OPENEYE NAME: N-butyl-N-methyl-butan-1-amine
CAS Name: N-butyl-N-methyl-1-butanamine
IUPAC NAME: N-butyl-N-methylbutan-1-amine
SYSTEMATIC NAME: N-butyl-N-methyl-butan-1-amine
MOLECULAR FORMULA: C9H21N
MOLECULAR WEIGHT: 143.26974
SMILES: CCCCN(C)CCCC
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Product OPENEYE NAME: N-(1-adamantyl)formamide
CAS Name: N-(1-adamantyl)formamide
IUPAC NAME: N-(1-adamantyl)formamide
SYSTEMATIC NAME: N-(1-adamantyl)methanamide
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: C1C2CC3CC1CC(C2)(C3)NC=O
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Product OPENEYE NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
CAS Name: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
IUPAC NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
SYSTEMATIC NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
MOLECULAR FORMULA: C22H44I2N4
MOLECULAR WEIGHT: 618.4205
SMILES: C[N+]1(C2CCCC1CN(C2)CCCCN3CC4CCCC(C3)[N+]4(C)C)C.[I-].[I-]
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Product OPENEYE NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane
CAS Name: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane
IUPAC NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 3-[4-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)butyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C22H44N4+2
MOLECULAR WEIGHT: 364.61156
SMILES: C[N+]1(C2CCCC1CN(C2)CCCCN3CC4CCCC(C3)[N+]4(C)C)C
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Product OPENEYE NAME: diethyl-[3-[2-(2-furylmethyl)-3-(1-naphthyl)propanoyl]oxypropyl]ammonium; 2-hydroxy-2-oxo-acetate
CAS Name: diethyl-[3-[2-(2-furanylmethyl)-3-(1-naphthalenyl)-1-oxopropoxy]propyl]ammonium; 2-hydroxy-2-oxoacetate
IUPAC NAME: diethyl-[3-[2-(furan-2-ylmethyl)-3-naphthalen-1-ylpropanoyl]oxypropyl]azanium; 2-hydroxy-2-oxoacetate
SYSTEMATIC NAME: diethyl-[3-[2-(furan-2-ylmethyl)-3-naphthalen-1-yl-propanoyl]oxypropyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C27H33NO7
MOLECULAR WEIGHT: 483.55342
SMILES: CC[NH+](CC)CCCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CO3.C(=O)(C(=O)[O-])O
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Product OPENEYE NAME: 3-(diethylamino)propyl 2-(2-furylmethyl)-3-(1-naphthyl)propanoate
CAS Name: 2-(2-furanylmethyl)-3-(1-naphthalenyl)propanoic acid 3-(diethylamino)propyl ester
IUPAC NAME: 3-(diethylamino)propyl 2-(furan-2-ylmethyl)-3-naphthalen-1-ylpropanoate
SYSTEMATIC NAME: 3-(diethylamino)propyl 2-(furan-2-ylmethyl)-3-naphthalen-1-yl-propanoate
MOLECULAR FORMULA: C25H31NO3
MOLECULAR WEIGHT: 393.51854
SMILES: CCN(CC)CCCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CO3
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Product OPENEYE NAME: diethyl-[4-[2-(2-furylmethyl)-3-(1-naphthyl)propanoyl]oxybutyl]ammonium; 2-hydroxy-2-oxo-acetate
CAS Name: diethyl-[4-[2-(2-furanylmethyl)-3-(1-naphthalenyl)-1-oxopropoxy]butyl]ammonium; 2-hydroxy-2-oxoacetate
IUPAC NAME: diethyl-[4-[2-(furan-2-ylmethyl)-3-naphthalen-1-ylpropanoyl]oxybutyl]azanium; 2-hydroxy-2-oxoacetate
SYSTEMATIC NAME: diethyl-[4-[2-(furan-2-ylmethyl)-3-naphthalen-1-yl-propanoyl]oxybutyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C28H35NO7
MOLECULAR WEIGHT: 497.58
SMILES: CC[NH+](CC)CCCCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CO3.C(=O)(C(=O)[O-])O
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Product OPENEYE NAME: 4-(diethylamino)butyl 2-(2-furylmethyl)-3-(1-naphthyl)propanoate
CAS Name: 2-(2-furanylmethyl)-3-(1-naphthalenyl)propanoic acid 4-(diethylamino)butyl ester
IUPAC NAME: 4-(diethylamino)butyl 2-(furan-2-ylmethyl)-3-naphthalen-1-ylpropanoate
SYSTEMATIC NAME: 4-(diethylamino)butyl 2-(furan-2-ylmethyl)-3-naphthalen-1-yl-propanoate
MOLECULAR FORMULA: C26H33NO3
MOLECULAR WEIGHT: 407.54512
SMILES: CCN(CC)CCCCOC(=O)C(CC1=CC=CC2=CC=CC=C21)CC3=CC=CO3
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Product OPENEYE NAME: 1-arsoroso-2-nitro-benzene
CAS Name: 1-arsoroso-2-nitrobenzene
IUPAC NAME: 1-arsoroso-2-nitrobenzene
SYSTEMATIC NAME: 1-arsoroso-2-nitro-benzene
MOLECULAR FORMULA: C6H4AsNO3
MOLECULAR WEIGHT: 213.02246
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])[As]=O
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Product OPENEYE NAME: acridin-9-ylhydrazine
CAS Name: 9-acridinylhydrazine
IUPAC NAME: acridin-9-ylhydrazine
SYSTEMATIC NAME: acridin-9-yldiazane
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN
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Product OPENEYE NAME: acridine-2,6-diamine
CAS Name: acridine-2,6-diamine
IUPAC NAME: acridine-2,6-diamine
SYSTEMATIC NAME: acridine-2,6-diamine
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: C1=CC(=CC2=NC3=C(C=C21)C=C(C=C3)N)N
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Product OPENEYE NAME: 3-chloroacridin-9-amine
CAS Name: 3-chloro-9-acridinamine
IUPAC NAME: 3-chloroacridin-9-amine
SYSTEMATIC NAME: 3-chloranylacridin-9-amine
MOLECULAR FORMULA: C13H9ClN2
MOLECULAR WEIGHT: 228.67696
SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)N
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Product OPENEYE NAME: 2-methoxyacridin-9-amine
CAS Name: 2-methoxy-9-acridinamine
IUPAC NAME: 2-methoxyacridin-9-amine
SYSTEMATIC NAME: 2-methoxyacridin-9-amine
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)N
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Product OPENEYE NAME: N-(isopropylideneamino)benzamide
CAS Name: N-(propan-2-ylideneamino)benzamide
IUPAC NAME: N-(propan-2-ylideneamino)benzamide
SYSTEMATIC NAME: N-(propan-2-ylideneamino)benzamide
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC(=NNC(=O)C1=CC=CC=C1)C
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Product OPENEYE NAME: N'-isopropylbenzohydrazide
CAS Name: N'-propan-2-ylbenzohydrazide
IUPAC NAME: N'-propan-2-ylbenzohydrazide
SYSTEMATIC NAME: N'-propan-2-ylbenzohydrazide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)NNC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 3-(4-bromophenyl)-1,1-dimethyl-urea
CAS Name: 3-(4-bromophenyl)-1,1-dimethylurea
IUPAC NAME: 3-(4-bromophenyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(4-bromophenyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C9H11BrN2O
MOLECULAR WEIGHT: 243.10044
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Br
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Product OPENEYE NAME: (4S,5R)-4,5,6-trihydroxy-2,3-dioxo-hexanoic acid
CAS Name: (4S,5R)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
IUPAC NAME: (4S,5R)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
SYSTEMATIC NAME: (4S,5R)-4,5,6-tris(oxidanyl)-2,3-bis(oxidanylidene)hexanoic acid
MOLECULAR FORMULA: C6H8O7
MOLECULAR WEIGHT: 192.12352
SMILES: C([C@H]([C@@H](C(=O)C(=O)C(=O)O)O)O)O
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Product OPENEYE NAME: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-acetate chloride
CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-ethyl-2-pyrrolidin-1-iumyl)methyl ester chloride
IUPAC NAME: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride
SYSTEMATIC NAME: (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate chloride
MOLECULAR FORMULA: C23H30ClNO3
MOLECULAR WEIGHT: 403.9422
SMILES: CC[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-]
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Product OPENEYE NAME: (1-ethylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenyl-acetate
CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-ethyl-2-pyrrolidinyl)methyl ester
IUPAC NAME: (1-ethylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenylacetate
SYSTEMATIC NAME: (1-ethylpyrrolidin-2-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C23H29NO3
MOLECULAR WEIGHT: 367.48126
SMILES: CCN1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC
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Product OPENEYE NAME: ethyl-[2-(2-methoxy-2,2-diphenyl-acetyl)oxyethyl]-propyl-ammonium chloride
CAS Name: ethyl-[2-(2-methoxy-1-oxo-2,2-diphenylethoxy)ethyl]-propylammonium chloride
IUPAC NAME: ethyl-[2-(2-methoxy-2,2-diphenylacetyl)oxyethyl]-propylazanium chloride
SYSTEMATIC NAME: ethyl-[2-(2-methoxy-2,2-diphenyl-ethanoyl)oxyethyl]-propyl-azanium chloride
MOLECULAR FORMULA: C22H30ClNO3
MOLECULAR WEIGHT: 391.9315
SMILES: CCC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC.[Cl-]
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Product OPENEYE NAME: 2-[ethyl(propyl)amino]ethyl 2-methoxy-2,2-diphenyl-acetate
CAS Name: 2-methoxy-2,2-diphenylacetic acid 2-[ethyl(propyl)amino]ethyl ester
IUPAC NAME: 2-[ethyl(propyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
SYSTEMATIC NAME: 2-[ethyl(propyl)amino]ethyl 2-methoxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C22H29NO3
MOLECULAR WEIGHT: 355.47056
SMILES: CCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC
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