Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-3-methyl-urea
CAS Name: 1-(3,4-dichlorophenyl)-3-methylurea
IUPAC NAME: 1-(3,4-dichlorophenyl)-3-methylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-methyl-urea
MOLECULAR FORMULA: C8H8Cl2N2O
MOLECULAR WEIGHT: 219.06792
SMILES: CNC(=O)NC1=CC(=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
CAS Name: 3-(trichloromethylthio)-1,3-benzoxazol-2-one
IUPAC NAME: 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C8H4Cl3NO2S
MOLECULAR WEIGHT: 284.54686
SMILES: C1=CC=C2C(=C1)N(C(=O)O2)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: 3-(trichloromethylsulfanyl)-1,3-benzothiazol-2-one
CAS Name: 3-(trichloromethylthio)-1,3-benzothiazol-2-one
IUPAC NAME: 3-(trichloromethylsulfanyl)-1,3-benzothiazol-2-one
SYSTEMATIC NAME: 3-(trichloromethylsulfanyl)-1,3-benzothiazol-2-one
MOLECULAR FORMULA: C8H4Cl3NOS2
MOLECULAR WEIGHT: 300.61246
SMILES: C1=CC=C2C(=C1)N(C(=O)S2)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: N-(4-aminophenyl)sulfonyl-N-(6-methoxypyridazin-3-yl)acetamide
CAS Name: N-(4-aminophenyl)sulfonyl-N-(6-methoxy-3-pyridazinyl)acetamide
IUPAC NAME: N-(4-aminophenyl)sulfonyl-N-(6-methoxypyridazin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-aminophenyl)sulfonyl-N-(6-methoxypyridazin-3-yl)ethanamide
MOLECULAR FORMULA: C13H14N4O4S
MOLECULAR WEIGHT: 322.33966
SMILES: CC(=O)N(C1=NN=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione
CAS Name: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione
IUPAC NAME: 4-hydroxy-3-(2-methyloctyl)naphthalene-1,2-dione
SYSTEMATIC NAME: 3-(2-methyloctyl)-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: CCCCCCC(C)CC1=C(C2=CC=CC=C2C(=O)C1=O)O
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Product OPENEYE NAME: 1-(3-chloropropylsulfinyl)octane
CAS Name: 1-(3-chloropropylsulfinyl)octane
IUPAC NAME: 1-(3-chloropropylsulfinyl)octane
SYSTEMATIC NAME: 1-(3-chloranylpropylsulfinyl)octane
MOLECULAR FORMULA: C11H23ClOS
MOLECULAR WEIGHT: 238.81772
SMILES: CCCCCCCCS(=O)CCCCl
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Product OPENEYE NAME: 2-pyrrolidin-1-ylethyl 2-phenylnorbornane-2-carboxylate
CAS Name: 3-phenyl-3-bicyclo[2.2.1]heptanecarboxylic acid 2-(1-pyrrolidinyl)ethyl ester
IUPAC NAME: 2-pyrrolidin-1-ylethyl 3-phenylbicyclo[2.2.1]heptane-3-carboxylate
SYSTEMATIC NAME: 2-pyrrolidin-1-ylethyl 3-phenylbicyclo[2.2.1]heptane-3-carboxylate
MOLECULAR FORMULA: C20H27NO2
MOLECULAR WEIGHT: 313.43388
SMILES: C1CCN(C1)CCOC(=O)C2(CC3CCC2C3)C4=CC=CC=C4
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Product OPENEYE NAME: (3S,5aS,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one
CAS Name: (3S,5aS,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one
IUPAC NAME: (3S,5aS,10bS)-3-hydroxy-3,3a,5b-trimethyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one
SYSTEMATIC NAME: (3S,5aS,10bS)-3,3a,5b-trimethyl-3-oxidanyl-1,2,4,5,5a,6,7,10,10a,10b-decahydrocyclopenta[a]fluoren-8-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@@]1(CC[C@@H]2C1(CC[C@H]3C2CC4=CC(=O)CCC34C)C)O
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Product OPENEYE NAME: N-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
CAS Name: N-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-butanamine
IUPAC NAME: N-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
SYSTEMATIC NAME: N-[(5-ethoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]butan-1-amine
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CCCCNCC1COC2=C(O1)C(=CC=C2)OCC
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Product OPENEYE NAME: 2-chloroethyl methanesulfonate
CAS Name: methanesulfonic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl methanesulfonate
SYSTEMATIC NAME: 2-chloroethyl methanesulfonate
MOLECULAR FORMULA: C3H7ClO3S
MOLECULAR WEIGHT: 158.60388
SMILES: CS(=O)(=O)OCCCl
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Product OPENEYE NAME: 2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate
CAS Name: sulfuric acid 2-(2,4,5-trichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate
SYSTEMATIC NAME: 2-[2,4,5-tris(chloranyl)phenoxy]ethyl hydrogen sulfate
MOLECULAR FORMULA: C8H7Cl3O5S
MOLECULAR WEIGHT: 321.56218
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCCOS(=O)(=O)O
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Product OPENEYE NAME: 1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
CAS Name: 1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
IUPAC NAME: 1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
SYSTEMATIC NAME: 3-methoxy-6-methyl-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3C2=O)O)OC)O
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Product OPENEYE NAME: trimethyl-[2-[4-[3-methyl-2-[4-[2-(trimethylammonio)ethoxy]phenyl]butyl]phenoxy]ethyl]ammonium diiodide
CAS Name: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylammonio)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]ammonium diiodide
IUPAC NAME: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide
MOLECULAR FORMULA: C27H44I2N2O2
MOLECULAR WEIGHT: 682.4594
SMILES: CC(C)C(CC1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-]
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Product OPENEYE NAME: trimethyl-[2-[4-[3-methyl-2-[4-[2-(trimethylammonio)ethoxy]phenyl]butyl]phenoxy]ethyl]ammonium
CAS Name: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylammonio)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]ammonium
IUPAC NAME: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium
MOLECULAR FORMULA: C27H44N2O2+2
MOLECULAR WEIGHT: 428.65046
SMILES: CC(C)C(CC1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C
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Product OPENEYE NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
CAS Name: undecanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
MOLECULAR FORMULA: C29H44O3
MOLECULAR WEIGHT: 440.65786
SMILES: CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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Product OPENEYE NAME: 3-[1-hydroxy-2-(isopropylamino)ethyl]phenol
CAS Name: 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
IUPAC NAME: 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
SYSTEMATIC NAME: 3-[1-oxidanyl-2-(propan-2-ylamino)ethyl]phenol
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(C)NCC(C1=CC(=CC=C1)O)O
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Product OPENEYE NAME: [4-(3-oxobutyl)phenyl] acetate
CAS Name: acetic acid [4-(3-oxobutyl)phenyl] ester
IUPAC NAME: [4-(3-oxobutyl)phenyl] acetate
SYSTEMATIC NAME: [4-(3-oxidanylidenebutyl)phenyl] ethanoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(=O)CCC1=CC=C(C=C1)OC(=O)C
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Product OPENEYE NAME: 2-bromo-N-(4-ethoxyphenyl)-2-ethyl-butanamide
CAS Name: 2-bromo-N-(4-ethoxyphenyl)-2-ethylbutanamide
IUPAC NAME: 2-bromo-N-(4-ethoxyphenyl)-2-ethylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N-(4-ethoxyphenyl)-2-ethyl-butanamide
MOLECULAR FORMULA: C14H20BrNO2
MOLECULAR WEIGHT: 314.2181
SMILES: CCC(CC)(C(=O)NC1=CC=C(C=C1)OCC)Br
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Product OPENEYE NAME: 3-[6-[3-[diethyl(methyl)ammonio]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methyl-ammonium diiodide
CAS Name: 3-[[6-[3-[diethyl(methyl)ammonio]propoxy]-3-pyridazinyl]oxy]propyl-diethyl-methylammonium diiodide
IUPAC NAME: 3-[6-[3-[diethyl(methyl)azaniumyl]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methylazanium diiodide
SYSTEMATIC NAME: 3-[6-[3-[diethyl(methyl)azaniumyl]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methyl-azanium diiodide
MOLECULAR FORMULA: C20H40I2N4O2
MOLECULAR WEIGHT: 622.36614
SMILES: CC[N+](C)(CC)CCCOC1=NN=C(C=C1)OCCC[N+](C)(CC)CC.[I-].[I-]
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Product OPENEYE NAME: 3-[6-[3-[diethyl(methyl)ammonio]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methyl-ammonium
CAS Name: 3-[[6-[3-[diethyl(methyl)ammonio]propoxy]-3-pyridazinyl]oxy]propyl-diethyl-methylammonium
IUPAC NAME: 3-[6-[3-[diethyl(methyl)azaniumyl]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methylazanium
SYSTEMATIC NAME: 3-[6-[3-[diethyl(methyl)azaniumyl]propoxy]pyridazin-3-yl]oxypropyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C20H40N4O2+2
MOLECULAR WEIGHT: 368.5572
SMILES: CC[N+](C)(CC)CCCOC1=NN=C(C=C1)OCCC[N+](C)(CC)CC
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Product OPENEYE NAME: 3-amino-2-methyl-5-nitro-benzamide
CAS Name: 3-amino-2-methyl-5-nitrobenzamide
IUPAC NAME: 3-amino-2-methyl-5-nitrobenzamide
SYSTEMATIC NAME: 3-azanyl-2-methyl-5-nitro-benzamide
MOLECULAR FORMULA: C8H9N3O3
MOLECULAR WEIGHT: 195.17536
SMILES: CC1=C(C=C(C=C1C(=O)N)[N+](=O)[O-])N
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Product OPENEYE NAME: 2-(1,1-diphenylethoxy)-N,N-dimethyl-ethanamine
CAS Name: 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine
IUPAC NAME: 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(1,1-diphenylethoxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C18H23NO
MOLECULAR WEIGHT: 269.38132
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C
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