Product OPENEYE NAME: (4-acetamidophenyl) 2-acetoxybenzoate
CAS Name: 2-acetyloxybenzoic acid (4-acetamidophenyl) ester
IUPAC NAME: (4-acetamidophenyl) 2-acetyloxybenzoate
SYSTEMATIC NAME: (4-acetamidophenyl) 2-acetyloxybenzoate
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C
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Product OPENEYE NAME: 4-methyl-2H-phthalazin-1-one
CAS Name: 4-methyl-2H-phthalazin-1-one
IUPAC NAME: 4-methyl-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-methyl-2H-phthalazin-1-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC1=NNC(=O)C2=CC=CC=C12
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Product OPENEYE NAME: 1-(cyclohexylmethyl)azepan-1-ium chloride
CAS Name: 1-(cyclohexylmethyl)azepan-1-ium chloride
IUPAC NAME: 1-(cyclohexylmethyl)azepan-1-ium chloride
SYSTEMATIC NAME: 1-(cyclohexylmethyl)azepan-1-ium chloride
MOLECULAR FORMULA: C13H26ClN
MOLECULAR WEIGHT: 231.80524
SMILES: C1CCC[NH+](CC1)CC2CCCCC2.[Cl-]
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Product OPENEYE NAME: 1-(cyclohexylmethyl)azepane
CAS Name: 1-(cyclohexylmethyl)azepane
IUPAC NAME: 1-(cyclohexylmethyl)azepane
SYSTEMATIC NAME: 1-(cyclohexylmethyl)azepane
MOLECULAR FORMULA: C13H25N
MOLECULAR WEIGHT: 195.3443
SMILES: C1CCCN(CC1)CC2CCCCC2
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Product OPENEYE NAME: 2-[4-(2-fluorophenyl)phenyl]propanoic acid
CAS Name: 2-[4-(2-fluorophenyl)phenyl]propanoic acid
IUPAC NAME: 2-[4-(2-fluorophenyl)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[4-(2-fluorophenyl)phenyl]propanoic acid
MOLECULAR FORMULA: C15H13FO2
MOLECULAR WEIGHT: 244.260923
SMILES: CC(C1=CC=C(C=C1)C2=CC=CC=C2F)C(=O)O
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Product OPENEYE NAME: 6-chloro-4-oxo-chromene-2-carboxylic acid
CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid
IUPAC NAME: 6-chloro-4-oxochromene-2-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-4-oxidanylidene-chromene-2-carboxylic acid
MOLECULAR FORMULA: C10H5ClO4
MOLECULAR WEIGHT: 224.5973
SMILES: C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)O
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Product OPENEYE NAME: non-8-en-2-one
CAS Name: 8-nonen-2-one
IUPAC NAME: non-8-en-2-one
SYSTEMATIC NAME: non-8-en-2-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC(=O)CCCCCC=C
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Product OPENEYE NAME: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CAS Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
IUPAC NAME: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC
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Product OPENEYE NAME: methyl 2-[2-(diethylamino)ethoxy]benzoate
CAS Name: 2-[2-(diethylamino)ethoxy]benzoic acid methyl ester
IUPAC NAME: methyl 2-[2-(diethylamino)ethoxy]benzoate
SYSTEMATIC NAME: methyl 2-[2-(diethylamino)ethoxy]benzoate
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CCN(CC)CCOC1=CC=CC=C1C(=O)OC
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Product OPENEYE NAME: methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
CAS Name: 5-chloro-2-[2-(diethylamino)ethoxy]benzoic acid methyl ester
IUPAC NAME: methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
SYSTEMATIC NAME: methyl 5-chloranyl-2-[2-(diethylamino)ethoxy]benzoate
MOLECULAR FORMULA: C14H20ClNO3
MOLECULAR WEIGHT: 285.7665
SMILES: CCN(CC)CCOC1=C(C=C(C=C1)Cl)C(=O)OC
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Product OPENEYE NAME: methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitro-benzoate
CAS Name: 2-[2-(diethylamino)ethoxy]-3,5-dinitrobenzoic acid methyl ester
IUPAC NAME: methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitrobenzoate
SYSTEMATIC NAME: methyl 2-[2-(diethylamino)ethoxy]-3,5-dinitro-benzoate
MOLECULAR FORMULA: C14H19N3O7
MOLECULAR WEIGHT: 341.31656
SMILES: CCN(CC)CCOC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-(diethylamino)ethoxy]-3-phenyl-benzoate
CAS Name: 2-[2-(diethylamino)ethoxy]-3-phenylbenzoic acid methyl ester
IUPAC NAME: methyl 2-[2-(diethylamino)ethoxy]-3-phenylbenzoate
SYSTEMATIC NAME: methyl 2-[2-(diethylamino)ethoxy]-3-phenyl-benzoate
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: CCN(CC)CCOC1=C(C=CC=C1C(=O)OC)C2=CC=CC=C2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H37FN2O4
MOLECULAR WEIGHT: 520.634883
SMILES: CC1(O[C@@H]2CC3C4CCC5=CC6=C(CC5(C4CCC3([C@@]2(O1)C(=O)CO)C)C)C=NN6C7=CC=C(C=C7)F)C
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Product OPENEYE NAME: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate
CAS Name: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
IUPAC NAME: disodium [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
SYSTEMATIC NAME: disodium [2-oxidanylidene-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] phosphate
MOLECULAR FORMULA: C22H29Na2O8P
MOLECULAR WEIGHT: 498.414161
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COP(=O)([O-])[O-])O.[Na+].[Na+]
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Product OPENEYE NAME: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-pyrrolidin-1-ylpropanoate
CAS Name: 3-(1-pyrrolidinyl)propanoic acid (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
IUPAC NAME: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-pyrrolidin-1-ylpropanoate
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-pyrrolidin-1-ylpropanoate
MOLECULAR FORMULA: C28H43NO3
MOLECULAR WEIGHT: 441.64592
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCN5CCCC5)C)C
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Product OPENEYE NAME: 5-(5-nitro-2-furyl)-1H-1,2,4-triazole
CAS Name: 5-(5-nitro-2-furanyl)-1H-1,2,4-triazole
IUPAC NAME: 5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C6H4N4O3
MOLECULAR WEIGHT: 180.12096
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C2=NC=NN2
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Product OPENEYE NAME: 2-ethylisoindoline-1,3-dione
CAS Name: 2-ethylisoindole-1,3-dione
IUPAC NAME: 2-ethylisoindole-1,3-dione
SYSTEMATIC NAME: 2-ethylisoindole-1,3-dione
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CCN1C(=O)C2=CC=CC=C2C1=O
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Product OPENEYE NAME: 6-methylhept-1-ene
CAS Name: 6-methyl-1-heptene
IUPAC NAME: 6-methylhept-1-ene
SYSTEMATIC NAME: 6-methylhept-1-ene
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC(C)CCCC=C
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Product OPENEYE NAME: ethyl N-(hydroxymethyl)carbamate
CAS Name: N-(hydroxymethyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-(hydroxymethyl)carbamate
SYSTEMATIC NAME: ethyl N-(hydroxymethyl)carbamate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CCOC(=O)NCO
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Product OPENEYE NAME: 1H-benzimidazol-2-yl-(2-chlorophenyl)methanol
CAS Name: 1H-benzimidazol-2-yl-(2-chlorophenyl)methanol
IUPAC NAME: 1H-benzimidazol-2-yl-(2-chlorophenyl)methanol
SYSTEMATIC NAME: 1H-benzimidazol-2-yl-(2-chlorophenyl)methanol
MOLECULAR FORMULA: C14H11ClN2O
MOLECULAR WEIGHT: 258.70294
SMILES: C1=CC=C(C(=C1)C(C2=NC3=CC=CC=C3N2)O)Cl
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