Product OPENEYE NAME: N-butyl-2-hydroxy-3-phenyl-benzamide
CAS Name: N-butyl-2-hydroxy-3-phenylbenzamide
IUPAC NAME: N-butyl-2-hydroxy-3-phenylbenzamide
SYSTEMATIC NAME: N-butyl-2-oxidanyl-3-phenyl-benzamide
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: CCCCNC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2
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Product OPENEYE NAME: 1-nitrosonaphthalen-2-ol
CAS Name: 1-nitroso-2-naphthalenol
IUPAC NAME: 1-nitrosonaphthalen-2-ol
SYSTEMATIC NAME: 1-nitrosonaphthalen-2-ol
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C(=C1)C=CC(=C2N=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H23N3O6
MOLECULAR WEIGHT: 665.64852
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9
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Product OPENEYE NAME: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H13N4O8P
MOLECULAR WEIGHT: 348.205981
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N4O14P3
MOLECULAR WEIGHT: 508.165783
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
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Product OPENEYE NAME: (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
CAS Name: (1R,5R)-3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
IUPAC NAME: (1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
SYSTEMATIC NAME: (1R,5R)-3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid
MOLECULAR FORMULA: C22H29NO4S
MOLECULAR WEIGHT: 403.53496
SMILES: CN1[C@@H]2CC[C@@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O
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Product OPENEYE NAME: N,N-diethyl-4,4-bis(2-thienyl)but-3-en-2-amine hydrochloride
CAS Name: N,N-diethyl-4,4-dithiophen-2-yl-3-buten-2-amine hydrochloride
IUPAC NAME: N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-4,4-dithiophen-2-yl-but-3-en-2-amine hydrochloride
MOLECULAR FORMULA: C16H22ClNS2
MOLECULAR WEIGHT: 327.93558
SMILES: CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2.Cl
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Product OPENEYE NAME: 9-ethylcarbazol-3-amine
CAS Name: 9-ethyl-3-carbazolamine
IUPAC NAME: 9-ethylcarbazol-3-amine
SYSTEMATIC NAME: 9-ethylcarbazol-3-amine
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31
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Product OPENEYE NAME: citric acid; N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CAS Name: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC NAME: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C23H33N3O8
MOLECULAR WEIGHT: 479.52342
SMILES: CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CAS Name: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
IUPAC NAME: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
MOLECULAR FORMULA: C17H25N3O
MOLECULAR WEIGHT: 287.3999
SMILES: CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC
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Product OPENEYE NAME: magnesium 2-acetoxybenzoate
CAS Name: magnesium 2-acetyloxybenzoate
IUPAC NAME: magnesium 2-acetyloxybenzoate
SYSTEMATIC NAME: magnesium 2-acetyloxybenzoate
MOLECULAR FORMULA: C18H14MgO8
MOLECULAR WEIGHT: 382.60396
SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Mg+2]
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Product OPENEYE NAME: 2-nitrosonaphthalen-1-ol
CAS Name: 2-nitroso-1-naphthalenol
IUPAC NAME: 2-nitrosonaphthalen-1-ol
SYSTEMATIC NAME: 2-nitrosonaphthalen-1-ol
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C(=C1)C=CC(=C2O)N=O
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Product OPENEYE NAME: 2-phenylquinoline-4-carboxylic acid
CAS Name: 2-phenyl-4-quinolinecarboxylic acid
IUPAC NAME: 2-phenylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-phenylquinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
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Product OPENEYE NAME: 2-(1-naphthylcarbamoyl)benzoic acid
CAS Name: 2-[(1-naphthalenylamino)-oxomethyl]benzoic acid
IUPAC NAME: 2-(naphthalen-1-ylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 2-(naphthalen-1-ylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O
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Product OPENEYE NAME: 2-(1-naphthyl)acetonitrile
CAS Name: 2-(1-naphthalenyl)acetonitrile
IUPAC NAME: 2-naphthalen-1-ylacetonitrile
SYSTEMATIC NAME: 2-naphthalen-1-ylethanenitrile
MOLECULAR FORMULA: C12H9N
MOLECULAR WEIGHT: 167.20656
SMILES: C1=CC=C2C(=C1)C=CC=C2CC#N
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Product OPENEYE NAME: (4-acetoxy-2,5-dioxo-3-furyl) acetate
CAS Name: acetic acid (4-acetyloxy-2,5-dioxo-3-furanyl) ester
IUPAC NAME: (4-acetyloxy-2,5-dioxofuran-3-yl) acetate
SYSTEMATIC NAME: [4-acetyloxy-2,5-bis(oxidanylidene)furan-3-yl] ethanoate
MOLECULAR FORMULA: C8H6O7
MOLECULAR WEIGHT: 214.12904
SMILES: CC(=O)OC1=C(C(=O)OC1=O)OC(=O)C
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Product OPENEYE NAME: [4-(2-chloroacetyl)oxy-2,5-dioxo-3-furyl] 2-chloroacetate
CAS Name: 2-chloroacetic acid [4-(2-chloro-1-oxoethoxy)-2,5-dioxo-3-furanyl] ester
IUPAC NAME: [4-(2-chloroacetyl)oxy-2,5-dioxofuran-3-yl] 2-chloroacetate
SYSTEMATIC NAME: [4-(2-chloranylethanoyloxy)-2,5-bis(oxidanylidene)furan-3-yl] 2-chloranylethanoate
MOLECULAR FORMULA: C8H4Cl2O7
MOLECULAR WEIGHT: 283.01916
SMILES: C(C(=O)OC1=C(C(=O)OC1=O)OC(=O)CCl)Cl
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