Product OPENEYE NAME: cinnamyl propanoate
CAS Name: propanoic acid 3-phenylprop-2-enyl ester
IUPAC NAME: 3-phenylprop-2-enyl propanoate
SYSTEMATIC NAME: 3-phenylprop-2-enyl propanoate
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CCC(=O)OCC=CC1=CC=CC=C1
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Product OPENEYE NAME: 3-phenylpropyl 2-methylpropanoate
CAS Name: 2-methylpropanoic acid 3-phenylpropyl ester
IUPAC NAME: 3-phenylpropyl 2-methylpropanoate
SYSTEMATIC NAME: 3-phenylpropyl 2-methylpropanoate
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)C(=O)OCCCC1=CC=CC=C1
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Product OPENEYE NAME: cinnamyl 2-methylpropanoate
CAS Name: 2-methylpropanoic acid 3-phenylprop-2-enyl ester
IUPAC NAME: 3-phenylprop-2-enyl 2-methylpropanoate
SYSTEMATIC NAME: 3-phenylprop-2-enyl 2-methylpropanoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC(C)C(=O)OCC=CC1=CC=CC=C1
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Product OPENEYE NAME: cinnamyl butanoate
CAS Name: butanoic acid 3-phenylprop-2-enyl ester
IUPAC NAME: 3-phenylprop-2-enyl butanoate
SYSTEMATIC NAME: 3-phenylprop-2-enyl butanoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CCCC(=O)OCC=CC1=CC=CC=C1
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Product OPENEYE NAME: 4-(butylamino)phenol
CAS Name: 4-(butylamino)phenol
IUPAC NAME: 4-(butylamino)phenol
SYSTEMATIC NAME: 4-(butylamino)phenol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CCCCNC1=CC=C(C=C1)O
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Product OPENEYE NAME: 2-bromoethylbenzene
CAS Name: 2-bromoethylbenzene
IUPAC NAME: 2-bromoethylbenzene
SYSTEMATIC NAME: 2-bromoethylbenzene
MOLECULAR FORMULA: C8H9Br
MOLECULAR WEIGHT: 185.06106
SMILES: C1=CC=C(C=C1)CCBr
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Product OPENEYE NAME: 2-bromovinylbenzene
CAS Name: 2-bromoethenylbenzene
IUPAC NAME: 2-bromoethenylbenzene
SYSTEMATIC NAME: 2-bromanylethenylbenzene
MOLECULAR FORMULA: C8H7Br
MOLECULAR WEIGHT: 183.04518
SMILES: C1=CC=C(C=C1)C=CBr
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Product OPENEYE NAME: propylbenzene
CAS Name: propylbenzene
IUPAC NAME: propylbenzene
SYSTEMATIC NAME: propylbenzene
MOLECULAR FORMULA: C9H12
MOLECULAR WEIGHT: 120.19158
SMILES: CCCC1=CC=CC=C1
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Product OPENEYE NAME: N-methyl-1-phenyl-methanamine
CAS Name: N-methyl-1-phenylmethanamine
IUPAC NAME: N-methyl-1-phenylmethanamine
SYSTEMATIC NAME: N-methyl-1-phenyl-methanamine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CNCC1=CC=CC=C1
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Product OPENEYE NAME: N-ethylaniline
CAS Name: N-ethylaniline
IUPAC NAME: N-ethylaniline
SYSTEMATIC NAME: N-ethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CCNC1=CC=CC=C1
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Product OPENEYE NAME: N-phenylformamide
CAS Name: N-phenylformamide
IUPAC NAME: N-phenylformamide
SYSTEMATIC NAME: N-phenylmethanamide
MOLECULAR FORMULA: C7H7NO
MOLECULAR WEIGHT: 121.13658
SMILES: C1=CC=C(C=C1)NC=O
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Product OPENEYE NAME: isocyanatobenzene
CAS Name: isocyanatobenzene
IUPAC NAME: isocyanatobenzene
SYSTEMATIC NAME: isocyanatobenzene
MOLECULAR FORMULA: C7H5NO
MOLECULAR WEIGHT: 119.1207
SMILES: C1=CC=C(C=C1)N=C=O
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Product OPENEYE NAME: isothiocyanatobenzene
CAS Name: isothiocyanatobenzene
IUPAC NAME: isothiocyanatobenzene
SYSTEMATIC NAME: isothiocyanatobenzene
MOLECULAR FORMULA: C7H5NS
MOLECULAR WEIGHT: 135.1863
SMILES: C1=CC=C(C=C1)N=C=S
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Product OPENEYE NAME: ethoxybenzene
CAS Name: ethoxybenzene
IUPAC NAME: ethoxybenzene
SYSTEMATIC NAME: ethoxybenzene
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CCOC1=CC=CC=C1
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Product OPENEYE NAME: 2-(2-pyridyl)ethanol
CAS Name: 2-(2-pyridinyl)ethanol
IUPAC NAME: 2-pyridin-2-ylethanol
SYSTEMATIC NAME: 2-pyridin-2-ylethanol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: C1=CC=NC(=C1)CCO
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Product OPENEYE NAME: 2-ethoxy-3,4-dihydro-2H-pyran
CAS Name: 2-ethoxy-3,4-dihydro-2H-pyran
IUPAC NAME: 2-ethoxy-3,4-dihydro-2H-pyran
SYSTEMATIC NAME: 2-ethoxy-3,4-dihydro-2H-pyran
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCOC1CCC=CO1
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Product OPENEYE NAME: 2-piperazin-1-ylethanol
CAS Name: 2-(1-piperazinyl)ethanol
IUPAC NAME: 2-piperazin-1-ylethanol
SYSTEMATIC NAME: 2-piperazin-1-ylethanol
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: C1CN(CCN1)CCO
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Product OPENEYE NAME: 1-phenylpropan-2-one
CAS Name: 1-phenyl-2-propanone
IUPAC NAME: 1-phenylpropan-2-one
SYSTEMATIC NAME: 1-phenylpropan-2-one
MOLECULAR FORMULA: C9H10O
MOLECULAR WEIGHT: 134.1751
SMILES: CC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 2-phenylacetyl chloride
CAS Name: 2-phenylacetyl chloride
IUPAC NAME: 2-phenylacetyl chloride
SYSTEMATIC NAME: 2-phenylethanoyl chloride
MOLECULAR FORMULA: C8H7ClO
MOLECULAR WEIGHT: 154.59358
SMILES: C1=CC=C(C=C1)CC(=O)Cl
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Product OPENEYE NAME: 2-phenylacetamide
CAS Name: 2-phenylacetamide
IUPAC NAME: 2-phenylacetamide
SYSTEMATIC NAME: 2-phenylethanamide
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: C1=CC=C(C=C1)CC(=O)N
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