Product OPENEYE NAME: [2-(hydroxymethyl)-2-(6-methylheptanoyloxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 6-methylheptanoate
CAS Name: 6-methylheptanoic acid [2-(hydroxymethyl)-2-[(6-methyl-1-oxoheptoxy)methyl]-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
IUPAC NAME: [2-(hydroxymethyl)-2-(6-methylheptanoyloxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 6-methylheptanoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-2-(6-methylheptanoyloxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 6-methylheptanoate
MOLECULAR FORMULA: C25H44O7
MOLECULAR WEIGHT: 456.61266
SMILES: CC(C)CCCCC(=O)OCC(CO)(COC(=O)CCCCC(C)C)COC(=O)C(=C)C
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Product OPENEYE NAME: 1-phenyl-1-pyrrolidin-1-yl-urea
CAS Name: 1-phenyl-1-(1-pyrrolidinyl)urea
IUPAC NAME: 1-phenyl-1-pyrrolidin-1-ylurea
SYSTEMATIC NAME: 1-phenyl-1-pyrrolidin-1-yl-urea
MOLECULAR FORMULA: C11H15N3O
MOLECULAR WEIGHT: 205.2563
SMILES: C1CCN(C1)N(C2=CC=CC=C2)C(=O)N
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Product OPENEYE NAME: carbamoyl-diethyl-phenyl-ammonium
CAS Name: carbamoyl-diethyl-phenylammonium
IUPAC NAME: carbamoyl-diethyl-phenylazanium
SYSTEMATIC NAME: aminocarbonyl-diethyl-phenyl-azanium
MOLECULAR FORMULA: C11H17N2O+
MOLECULAR WEIGHT: 193.26548
SMILES: CC[N+](CC)(C1=CC=CC=C1)C(=O)N
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Product OPENEYE NAME: 1-(4-chlorophenyl)-1-phenyl-urea
CAS Name: 1-(4-chlorophenyl)-1-phenylurea
IUPAC NAME: 1-(4-chlorophenyl)-1-phenylurea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-1-phenyl-urea
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C(C=C1)N(C2=CC=C(C=C2)Cl)C(=O)N
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Product OPENEYE NAME: N-(pyrrolidin-2-ylmethyl)-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: N-(2-pyrrolidinylmethyl)-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: C1CC(NC1)CNC(=O)C2=C3C(=CC=C2)CCO3
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Product OPENEYE NAME: 2-hydroxyethyl 4-(dimethoxymethyl)benzoate
CAS Name: 4-(dimethoxymethyl)benzoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: 2-hydroxyethyl 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: COC(C1=CC=C(C=C1)C(=O)OCCO)OC
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Product OPENEYE NAME: 2-butoxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoic acid 2-butoxyethyl ester
IUPAC NAME: 2-butoxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]benzoate
MOLECULAR FORMULA: C20H30O9
MOLECULAR WEIGHT: 414.4468
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)/C=C(\C(C(C(C(CO)O)O)O)O)/O
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Product OPENEYE NAME: 2-hydroxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
SYSTEMATIC NAME: 2-hydroxyethyl 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]benzoate
MOLECULAR FORMULA: C16H22O9
MOLECULAR WEIGHT: 358.34048
SMILES: C1=CC(=CC=C1/C=C(\C(C(C(C(CO)O)O)O)O)/O)C(=O)OCCO
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Product OPENEYE NAME: 4-(dimethoxymethyl)benzoate
CAS Name: 4-(dimethoxymethyl)benzoate
IUPAC NAME: 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: COC(C1=CC=C(C=C1)C(=O)[O-])OC
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Product OPENEYE NAME: 3-(1,2-dihydroxyethyl)-1,3,4,6-tetrahydroxy-2,5-diphenyl-bicyclo[2.2.0]hexane-2,5-dicarboxylic acid
CAS Name: 3-(1,2-dihydroxyethyl)-1,3,4,6-tetrahydroxy-2,5-diphenylbicyclo[2.2.0]hexane-2,5-dicarboxylic acid
IUPAC NAME: 3-(1,2-dihydroxyethyl)-1,3,4,6-tetrahydroxy-2,5-diphenylbicyclo[2.2.0]hexane-2,5-dicarboxylic acid
SYSTEMATIC NAME: 3-[1,2-bis(oxidanyl)ethyl]-1,3,4,6-tetrakis(oxidanyl)-2,5-diphenyl-bicyclo[2.2.0]hexane-2,5-dicarboxylic acid
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: C1=CC=C(C=C1)C2(C(C3(C2(C(C3(C4=CC=CC=C4)C(=O)O)(C(CO)O)O)O)O)O)C(=O)O
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Product OPENEYE NAME: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N,N-bis(2-hydroxyethyl)benzamide
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N,N-bis(2-hydroxyethyl)benzamide
IUPAC NAME: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]-N,N-bis(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]-N,N-bis(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C18H27NO9
MOLECULAR WEIGHT: 401.40828
SMILES: C1=CC(=CC=C1/C=C(\C(C(C(C(CO)O)O)O)O)/O)C(=O)N(CCO)CCO
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Product OPENEYE NAME: 2-hydroxyethyl 4-[2-(1,2-dihydroxyethyl)-1,2,4,5-tetrahydroxy-6-(p-tolyl)-3-bicyclo[2.2.0]hexanyl]benzoate
CAS Name: 4-[2-(1,2-dihydroxyethyl)-1,2,4,5-tetrahydroxy-6-(4-methylphenyl)-3-bicyclo[2.2.0]hexanyl]benzoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 4-[2-(1,2-dihydroxyethyl)-1,2,4,5-tetrahydroxy-6-(4-methylphenyl)-3-bicyclo[2.2.0]hexanyl]benzoate
SYSTEMATIC NAME: 2-hydroxyethyl 4-[2-[1,2-bis(oxidanyl)ethyl]-6-(4-methylphenyl)-1,2,4,5-tetrakis(oxidanyl)-3-bicyclo[2.2.0]hexanyl]benzoate
MOLECULAR FORMULA: C24H28O9
MOLECULAR WEIGHT: 460.47372
SMILES: CC1=CC=C(C=C1)C2C(C3(C2(C(C3C4=CC=C(C=C4)C(=O)OCCO)(C(CO)O)O)O)O)O
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Product OPENEYE NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
CAS Name: 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoic acid 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[(E)-2,3,4,5,6,7-hexahydroxyhept-1-enyl]benzoate
SYSTEMATIC NAME: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[(E)-2,3,4,5,6,7-hexakis(oxidanyl)hept-1-enyl]benzoate
MOLECULAR FORMULA: C21H32O11
MOLECULAR WEIGHT: 460.47218
SMILES: COCCOCCOCCOC(=O)C1=CC=C(C=C1)/C=C(\C(C(C(C(CO)O)O)O)O)/O
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