Product OPENEYE NAME: cyclohepta-1,3-diene
CAS Name: cyclohepta-1,3-diene
IUPAC NAME: cyclohepta-1,3-diene
SYSTEMATIC NAME: cyclohepta-1,3-diene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC=CC=CC1
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MOLECULAR FORMULA: C19H24N4O6
MOLECULAR WEIGHT: 404.41706
SMILES: CCCC(=O)N1C2C1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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MOLECULAR FORMULA: C18H22N4O6
MOLECULAR WEIGHT: 390.39048
SMILES: CCC(=O)N1C2C1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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MOLECULAR FORMULA: C16H19N3O6
MOLECULAR WEIGHT: 349.33856
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC
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MOLECULAR FORMULA: C16H19N3O6
MOLECULAR WEIGHT: 349.33856
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)OC
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Product OPENEYE NAME: 2,6-dimethyloct-2-ene
CAS Name: 2,6-dimethyl-2-octene
IUPAC NAME: 2,6-dimethyloct-2-ene
SYSTEMATIC NAME: 2,6-dimethyloct-2-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCC(C)CCC=C(C)C
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C20H26N3O2+
MOLECULAR WEIGHT: 340.43934
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[4-(2,6-dimethylanilino)-4-oxo-butyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride
SYSTEMATIC NAME: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C22H30ClN3O2
MOLECULAR WEIGHT: 403.9455
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[4-(2,6-dimethylanilino)-4-oxo-butyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium
SYSTEMATIC NAME: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C22H30N3O2+
MOLECULAR WEIGHT: 368.4925
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C19H23Cl2N3O2
MOLECULAR WEIGHT: 396.31082
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C19H23ClN3O2+
MOLECULAR WEIGHT: 360.85782
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 2-[(4-chlorophenyl)-phenylazo-methyl]propanedinitrile
CAS Name: 2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile
IUPAC NAME: 2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile
SYSTEMATIC NAME: 2-[(4-chlorophenyl)-phenyldiazenyl-methyl]propanedinitrile
MOLECULAR FORMULA: C16H11ClN4
MOLECULAR WEIGHT: 294.73834
SMILES: C1=CC=C(C=C1)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N
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Product OPENEYE NAME: (2-allyloxyphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-prop-2-enoxyphenyl) ester
IUPAC NAME: (2-prop-2-enoxyphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-prop-2-enoxyphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: CNC(=O)OC1=CC=CC=C1OCC=C
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MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
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Product OPENEYE NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)C=O
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Product OPENEYE NAME: 3-ethyl-3-phenyl-tetrahydrofuran-2-one
CAS Name: 3-ethyl-3-phenyl-2-oxolanone
IUPAC NAME: 3-ethyl-3-phenyloxolan-2-one
SYSTEMATIC NAME: 3-ethyl-3-phenyl-oxolan-2-one
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CCC1(CCOC1=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethyl-acetamide
CAS Name: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
IUPAC NAME: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
SYSTEMATIC NAME: N-[4-chloranyl-6-[ethanoyl(ethyl)amino]-1,3,5-triazin-2-yl]-N-ethyl-ethanamide
MOLECULAR FORMULA: C11H16ClN5O2
MOLECULAR WEIGHT: 285.73004
SMILES: CCN(C1=NC(=NC(=N1)Cl)N(CC)C(=O)C)C(=O)C
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Product OPENEYE NAME: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid
CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
IUPAC NAME: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
SYSTEMATIC NAME: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid
MOLECULAR FORMULA: C14H12O6S
MOLECULAR WEIGHT: 308.30648
SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
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Product OPENEYE NAME: 1-(o-tolyl)pyrrole-2,5-dione
CAS Name: 1-(2-methylphenyl)pyrrole-2,5-dione
IUPAC NAME: 1-(2-methylphenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(2-methylphenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=CC=CC=C1N2C(=O)C=CC2=O
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