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MOLECULAR FORMULA: C19H21NO3
MOLECULAR WEIGHT: 311.37494
SMILES: CCOC(=O)CC1=CC2=C(N1C)C(=O)C3=C(CC2)C=C(C=C3)C
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MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CN1C(=C(C2=C1C(=O)C3=CC=CC=C3CC2)C(=O)O)CCC(=O)O
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Product OPENEYE NAME: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxo-ethyl)-3-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
CAS Name: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-3-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
IUPAC NAME: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-3-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-3-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C20H23NO6
MOLECULAR WEIGHT: 373.39972
SMILES: CCOC(=O)CC1=C(C(=C(N1)C(=O)O)CCC2=CC=CC=C2)C(=O)OCC
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MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: CC1=CC2=C(C=C1)C(=O)C3=C(CC2)C=C(N3C)CC(=O)O
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Product OPENEYE NAME: ethyl 6-(m-tolyl)-3,6-dioxo-hexanoate
CAS Name: 6-(3-methylphenyl)-3,6-dioxohexanoic acid ethyl ester
IUPAC NAME: ethyl 6-(3-methylphenyl)-3,6-dioxohexanoate
SYSTEMATIC NAME: ethyl 6-(3-methylphenyl)-3,6-bis(oxidanylidene)hexanoate
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CCOC(=O)CC(=O)CCC(=O)C1=CC(=CC=C1)C
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Product OPENEYE NAME: ethyl 5-(3-fluorophenyl)-3-oxo-pentanoate
CAS Name: 5-(3-fluorophenyl)-3-oxopentanoic acid ethyl ester
IUPAC NAME: ethyl 5-(3-fluorophenyl)-3-oxopentanoate
SYSTEMATIC NAME: ethyl 5-(3-fluorophenyl)-3-oxidanylidene-pentanoate
MOLECULAR FORMULA: C13H15FO3
MOLECULAR WEIGHT: 238.254803
SMILES: CCOC(=O)CC(=O)CCC1=CC(=CC=C1)F
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Product OPENEYE NAME: O2-benzyl O4-ethyl 5-(2-ethoxy-2-oxo-ethyl)-3-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2,4-dicarboxylate
CAS Name: 5-(2-ethoxy-2-oxoethyl)-3-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester
IUPAC NAME: 2-O-benzyl 4-O-ethyl 5-(2-ethoxy-2-oxoethyl)-3-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2,4-dicarboxylate
SYSTEMATIC NAME: O4-ethyl O2-(phenylmethyl) 5-(2-ethoxy-2-oxidanylidene-ethyl)-3-[2-(3-fluorophenyl)ethyl]-1H-pyrrole-2,4-dicarboxylate
MOLECULAR FORMULA: C27H28FNO6
MOLECULAR WEIGHT: 481.512723
SMILES: CCOC(=O)CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC3=CC(=CC=C3)F)C(=O)OCC
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Product OPENEYE NAME: O2-benzyl O4-ethyl 3-[2-(3-chlorophenyl)ethyl]-5-(2-ethoxy-2-oxo-ethyl)-1-methyl-pyrrole-2,4-dicarboxylate
CAS Name: 3-[2-(3-chlorophenyl)ethyl]-5-(2-ethoxy-2-oxoethyl)-1-methylpyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-(phenylmethyl) ester
IUPAC NAME: 2-O-benzyl 4-O-ethyl 3-[2-(3-chlorophenyl)ethyl]-5-(2-ethoxy-2-oxoethyl)-1-methylpyrrole-2,4-dicarboxylate
SYSTEMATIC NAME: O4-ethyl O2-(phenylmethyl) 3-[2-(3-chlorophenyl)ethyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrole-2,4-dicarboxylate
MOLECULAR FORMULA: C28H30ClNO6
MOLECULAR WEIGHT: 511.9939
SMILES: CCOC(=O)CC1=C(C(=C(N1C)C(=O)OCC2=CC=CC=C2)CCC3=CC(=CC=C3)Cl)C(=O)OCC
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Product OPENEYE NAME: benzyl 6-(m-tolyl)-3,6-dioxo-hexanoate
CAS Name: 6-(3-methylphenyl)-3,6-dioxohexanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 6-(3-methylphenyl)-3,6-dioxohexanoate
SYSTEMATIC NAME: (phenylmethyl) 6-(3-methylphenyl)-3,6-bis(oxidanylidene)hexanoate
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1=CC=CC(=C1)C(=O)CCC(=O)CC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxo-ethyl)-1-methyl-pyrrole-2-carboxylic acid
CAS Name: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methyl-2-pyrrolecarboxylic acid
IUPAC NAME: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxoethyl)-1-methylpyrrole-2-carboxylic acid
SYSTEMATIC NAME: 3-[2-(3-chlorophenyl)ethyl]-4-ethoxycarbonyl-5-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C21H24ClNO6
MOLECULAR WEIGHT: 421.87136
SMILES: CCOC(=O)CC1=C(C(=C(N1C)C(=O)O)CCC2=CC(=CC=C2)Cl)C(=O)OCC
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Product OPENEYE NAME: 1,5-dichloro-2-methyl-4-(3-methylphenoxy)benzene
CAS Name: 1,5-dichloro-2-methyl-4-(3-methylphenoxy)benzene
IUPAC NAME: 1,5-dichloro-2-methyl-4-(3-methylphenoxy)benzene
SYSTEMATIC NAME: 1,5-bis(chloranyl)-2-methyl-4-(3-methylphenoxy)benzene
MOLECULAR FORMULA: C14H12Cl2O
MOLECULAR WEIGHT: 267.15048
SMILES: CC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C)Cl)Cl
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