Product OPENEYE NAME: 2-methyl-3-oxo-N-(1-phenylethyl)propanamide
CAS Name: 2-methyl-3-oxo-N-(1-phenylethyl)propanamide
IUPAC NAME: 2-methyl-3-oxo-N-(1-phenylethyl)propanamide
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-N-(1-phenylethyl)propanamide
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC(C=O)C(=O)NC(C)C1=CC=CC=C1
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Product OPENEYE NAME: 2-methyl-3-oxo-3-(2-phenylethylamino)propanoic acid
CAS Name: 2-methyl-3-oxo-3-(2-phenylethylamino)propanoic acid
IUPAC NAME: 2-methyl-3-oxo-3-(2-phenylethylamino)propanoic acid
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-3-(2-phenylethylamino)propanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C(=O)NCCC1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 2-oxoethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-oxoethyl ester
IUPAC NAME: 2-oxoethyl prop-2-enoate
SYSTEMATIC NAME: 2-oxidanylideneethyl prop-2-enoate
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: C=CC(=O)OCC=O
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Product OPENEYE NAME: 1-piperazin-1-yldecan-1-one chloride
CAS Name: 1-(1-piperazinyl)-1-decanone chloride
IUPAC NAME: 1-piperazin-1-yldecan-1-one chloride
SYSTEMATIC NAME: 1-piperazin-1-yldecan-1-one chloride
MOLECULAR FORMULA: C14H28ClN2O-
MOLECULAR WEIGHT: 275.83792
SMILES: CCCCCCCCCC(=O)N1CCNCC1.[Cl-]
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Product OPENEYE NAME: N'-[(E)-3-(2-nitrophenyl)allyl]-N'-(4-pyridyl)ethane-1,2-diamine
CAS Name: N'-[(E)-3-(2-nitrophenyl)prop-2-enyl]-N'-pyridin-4-ylethane-1,2-diamine
IUPAC NAME: N'-[(E)-3-(2-nitrophenyl)prop-2-enyl]-N'-pyridin-4-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-[(E)-3-(2-nitrophenyl)prop-2-enyl]-N'-pyridin-4-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: C1=CC=C(C(=C1)/C=C/CN(CCN)C2=CC=NC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N'-[(E)-cinnamyl]-N'-(3-pyridyl)ethane-1,2-diamine
CAS Name: N'-[(E)-3-phenylprop-2-enyl]-N'-(3-pyridinyl)ethane-1,2-diamine
IUPAC NAME: N'-[(E)-3-phenylprop-2-enyl]-N'-pyridin-3-ylethane-1,2-diamine
SYSTEMATIC NAME: N'-[(E)-3-phenylprop-2-enyl]-N'-pyridin-3-yl-ethane-1,2-diamine
MOLECULAR FORMULA: C16H19N3
MOLECULAR WEIGHT: 253.34216
SMILES: C1=CC=C(C=C1)/C=C/CN(CCN)C2=CN=CC=C2
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Product OPENEYE NAME: 1-[(E)-cinnamyl]-1-(3-pyridyl)urea
CAS Name: 1-[(E)-3-phenylprop-2-enyl]-1-(3-pyridinyl)urea
IUPAC NAME: 1-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-ylurea
SYSTEMATIC NAME: 1-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-yl-urea
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: C1=CC=C(C=C1)/C=C/CN(C2=CN=CC=C2)C(=O)N
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Product OPENEYE NAME: 1-(2-chloroethyl)-1-(3-pyridyl)urea
CAS Name: 1-(2-chloroethyl)-1-(3-pyridinyl)urea
IUPAC NAME: 1-(2-chloroethyl)-1-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-pyridin-3-yl-urea
MOLECULAR FORMULA: C8H10ClN3O
MOLECULAR WEIGHT: 199.6375
SMILES: C1=CC(=CN=C1)N(CCCl)C(=O)N
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Product OPENEYE NAME: [(E)-pent-1-enyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(E)-pent-1-enyl] ester
IUPAC NAME: [(E)-pent-1-enyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(E)-pent-1-enyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H16O3S
MOLECULAR WEIGHT: 240.31864
SMILES: CCC/C=C/OS(=O)(=O)C1=CC=C(C=C1)C
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Product OPENEYE NAME: 1-(3-pyridyl)imidazolidine-2-thione
CAS Name: 1-(3-pyridinyl)-2-imidazolidinethione
IUPAC NAME: 1-pyridin-3-ylimidazolidine-2-thione
SYSTEMATIC NAME: 1-pyridin-3-ylimidazolidine-2-thione
MOLECULAR FORMULA: C8H9N3S
MOLECULAR WEIGHT: 179.24216
SMILES: C1CN(C(=S)N1)C2=CN=CC=C2
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Product OPENEYE NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylate
CAS Name: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylate
IUPAC NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylate
SYSTEMATIC NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylate
MOLECULAR FORMULA: C8H2O5-2
MOLECULAR WEIGHT: 178.09848
SMILES: C1=CC2=C(C(=C1C(=O)[O-])O2)C(=O)[O-]
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Product OPENEYE NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylic acid
CAS Name: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylic acid
IUPAC NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylic acid
SYSTEMATIC NAME: 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene-4,7-dicarboxylic acid
MOLECULAR FORMULA: C8H4O5
MOLECULAR WEIGHT: 180.11436
SMILES: C1=CC2=C(C(=C1C(=O)O)O2)C(=O)O
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Product OPENEYE NAME: 1,1-didodecyltetradecylammonium iodide
CAS Name: 13-dodecylhexacosan-13-ylammonium iodide
IUPAC NAME: 13-dodecylhexacosan-13-ylazanium iodide
SYSTEMATIC NAME: 13-dodecylhexacosan-13-ylazanium iodide
MOLECULAR FORMULA: C38H80IN
MOLECULAR WEIGHT: 677.95297
SMILES: CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[I-]
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Product OPENEYE NAME: 13-dodecylhexacosan-13-amine
CAS Name: 13-dodecyl-13-hexacosanamine
IUPAC NAME: 13-dodecylhexacosan-13-amine
SYSTEMATIC NAME: 13-dodecylhexacosan-13-amine
MOLECULAR FORMULA: C38H79N
MOLECULAR WEIGHT: 550.04056
SMILES: CCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)N
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Product OPENEYE NAME: 1,1-di(undecyl)dodecylammonium iodide
CAS Name: 12-undecyltricosan-12-ylammonium iodide
IUPAC NAME: 12-undecyltricosan-12-ylazanium iodide
SYSTEMATIC NAME: 12-undecyltricosan-12-ylazanium iodide
MOLECULAR FORMULA: C34H72IN
MOLECULAR WEIGHT: 621.84665
SMILES: CCCCCCCCCCCC(CCCCCCCCCCC)(CCCCCCCCCCC)[NH3+].[I-]
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Product OPENEYE NAME: 1,1-di(nonyl)undecylammonium bromide
CAS Name: 10-nonyleicosan-10-ylammonium bromide
IUPAC NAME: 10-nonylicosan-10-ylazanium bromide
SYSTEMATIC NAME: 10-nonylicosan-10-ylazanium bromide
MOLECULAR FORMULA: C29H62BrN
MOLECULAR WEIGHT: 504.71328
SMILES: CCCCCCCCCCC(CCCCCCCCC)(CCCCCCCCC)[NH3+].[Br-]
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Product OPENEYE NAME: 1,1-di(undecyl)tridecylammonium iodide
CAS Name: 12-undecyltetracosan-12-ylammonium iodide
IUPAC NAME: 12-undecyltetracosan-12-ylazanium iodide
SYSTEMATIC NAME: 12-undecyltetracosan-12-ylazanium iodide
MOLECULAR FORMULA: C35H74IN
MOLECULAR WEIGHT: 635.87323
SMILES: CCCCCCCCCCCCC(CCCCCCCCCCC)(CCCCCCCCCCC)[NH3+].[I-]
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