Product OPENEYE NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-5-fluoropyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O5
MOLECULAR WEIGHT: 246.192443
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O
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Product OPENEYE NAME: ferrous diacetate
CAS Name: iron(2+) diacetate
IUPAC NAME: iron(2+) diacetate
SYSTEMATIC NAME: iron(2+) diethanoate
MOLECULAR FORMULA: C4H6FeO4
MOLECULAR WEIGHT: 173.93304
SMILES: CC(=O)[O-].CC(=O)[O-].[Fe+2]
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Product OPENEYE NAME: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
CAS Name: 3,5-dimethyl-4-[[1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]benzoic acid propyl ester perchlorate
IUPAC NAME: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
SYSTEMATIC NAME: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
MOLECULAR FORMULA: C20H31ClN2O7
MOLECULAR WEIGHT: 446.92234
SMILES: CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCC2)C.[O-]Cl(=O)(=O)=O
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Product OPENEYE NAME: propyl 3,5-dimethyl-4-[2-(1-piperidyl)propanoylamino]benzoate
CAS Name: 3,5-dimethyl-4-[[1-oxo-2-(1-piperidinyl)propyl]amino]benzoic acid propyl ester
IUPAC NAME: propyl 3,5-dimethyl-4-(2-piperidin-1-ylpropanoylamino)benzoate
SYSTEMATIC NAME: propyl 3,5-dimethyl-4-(2-piperidin-1-ylpropanoylamino)benzoate
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCC2)C
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Product OPENEYE NAME: propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethyl-benzoate
CAS Name: 4-[[2-(cyclohexylamino)-1-oxoethyl]amino]-3,5-dimethylbenzoic acid propyl ester
IUPAC NAME: propyl 4-[[2-(cyclohexylamino)acetyl]amino]-3,5-dimethylbenzoate
SYSTEMATIC NAME: propyl 4-[2-(cyclohexylamino)ethanoylamino]-3,5-dimethyl-benzoate
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CNC2CCCCC2)C
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Product OPENEYE NAME: propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethyl-benzoate
CAS Name: 4-[[2-(diethylamino)-1-oxoethyl]amino]-3,5-dimethylbenzoic acid propyl ester
IUPAC NAME: propyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
SYSTEMATIC NAME: propyl 4-[2-(diethylamino)ethanoylamino]-3,5-dimethyl-benzoate
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CN(CC)CC)C
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Product OPENEYE NAME: ethyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethyl-benzoate
CAS Name: 4-[[2-(diethylamino)-1-oxoethyl]amino]-3,5-dimethylbenzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
SYSTEMATIC NAME: ethyl 4-[2-(diethylamino)ethanoylamino]-3,5-dimethyl-benzoate
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CCN(CC)CC(=O)NC1=C(C=C(C=C1C)C(=O)OCC)C
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Product OPENEYE NAME: [2-(4-butoxycarbonyl-2,6-dimethyl-anilino)-2-oxo-ethyl]-diethyl-ammonium chloride
CAS Name: [2-[4-[butoxy(oxo)methyl]-2,6-dimethylanilino]-2-oxoethyl]-diethylammonium chloride
IUPAC NAME: [2-(4-butoxycarbonyl-2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
SYSTEMATIC NAME: [2-[(4-butoxycarbonyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]-diethyl-azanium chloride
MOLECULAR FORMULA: C19H31ClN2O3
MOLECULAR WEIGHT: 370.91404
SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C[NH+](CC)CC)C.[Cl-]
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Product OPENEYE NAME: butyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethyl-benzoate
CAS Name: 4-[[2-(diethylamino)-1-oxoethyl]amino]-3,5-dimethylbenzoic acid butyl ester
IUPAC NAME: butyl 4-[[2-(diethylamino)acetyl]amino]-3,5-dimethylbenzoate
SYSTEMATIC NAME: butyl 4-[2-(diethylamino)ethanoylamino]-3,5-dimethyl-benzoate
MOLECULAR FORMULA: C19H30N2O3
MOLECULAR WEIGHT: 334.4531
SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)CN(CC)CC)C
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Product OPENEYE NAME: ammonia; (2R,3R)-2,3-dihydroxybutanedioic acid
CAS Name: ammonia; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC NAME: azane; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: azane; (2R,3R)-2,3-bis(oxidanyl)butanedioic acid
MOLECULAR FORMULA: C4H9NO6
MOLECULAR WEIGHT: 167.11736
SMILES: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O.N
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Product OPENEYE NAME: diethoxyphosphoryl acetate
CAS Name: acetic acid diethoxyphosphoryl ester
IUPAC NAME: diethoxyphosphoryl acetate
SYSTEMATIC NAME: diethoxyphosphoryl ethanoate
MOLECULAR FORMULA: C6H13O5P
MOLECULAR WEIGHT: 196.138181
SMILES: CCOP(=O)(OCC)OC(=O)C
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Product OPENEYE NAME: 2-chlorofluoren-9-one
CAS Name: 2-chloro-9-fluorenone
IUPAC NAME: 2-chlorofluoren-9-one
SYSTEMATIC NAME: 2-chloranylfluoren-9-one
MOLECULAR FORMULA: C13H7ClO
MOLECULAR WEIGHT: 214.64708
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)Cl
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Product OPENEYE NAME: N-(9-oxofluoren-2-yl)acetamide
CAS Name: N-(9-oxo-2-fluorenyl)acetamide
IUPAC NAME: N-(9-oxofluoren-2-yl)acetamide
SYSTEMATIC NAME: N-(9-oxidanylidenefluoren-2-yl)ethanamide
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: 2-nitrofluoren-9-one
CAS Name: 2-nitro-9-fluorenone
IUPAC NAME: 2-nitrofluoren-9-one
SYSTEMATIC NAME: 2-nitrofluoren-9-one
MOLECULAR FORMULA: C13H7NO3
MOLECULAR WEIGHT: 225.19958
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-aminofluoren-9-one
CAS Name: 2-amino-9-fluorenone
IUPAC NAME: 2-aminofluoren-9-one
SYSTEMATIC NAME: 2-azanylfluoren-9-one
MOLECULAR FORMULA: C13H9NO
MOLECULAR WEIGHT: 195.21666
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N
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Product OPENEYE NAME: 3-(chloromethyl)pyridine
CAS Name: 3-(chloromethyl)pyridine
IUPAC NAME: 3-(chloromethyl)pyridine
SYSTEMATIC NAME: 3-(chloromethyl)pyridine
MOLECULAR FORMULA: C6H6ClN
MOLECULAR WEIGHT: 127.57154
SMILES: C1=CC(=CN=C1)CCl
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Product OPENEYE NAME: N-(2-chloro-5-ethyl-phenyl)-4-(diethylamino)butanamide
CAS Name: N-(2-chloro-5-ethylphenyl)-4-(diethylamino)butanamide
IUPAC NAME: N-(2-chloro-5-ethylphenyl)-4-(diethylamino)butanamide
SYSTEMATIC NAME: N-(2-chloranyl-5-ethyl-phenyl)-4-(diethylamino)butanamide
MOLECULAR FORMULA: C16H25ClN2O
MOLECULAR WEIGHT: 296.8355
SMILES: CCC1=CC(=C(C=C1)Cl)NC(=O)CCCN(CC)CC
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Product OPENEYE NAME: 2-[(4-tert-butylphenoxy)methyl]oxirane
CAS Name: 2-[(4-tert-butylphenoxy)methyl]oxirane
IUPAC NAME: 2-[(4-tert-butylphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[(4-tert-butylphenoxy)methyl]oxirane
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC2CO2
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Product OPENEYE NAME: 2-(N-cyclohexylanilino)ethyl-diisopropyl-methyl-ammonium iodide
CAS Name: 2-(N-cyclohexylanilino)ethyl-methyl-di(propan-2-yl)ammonium iodide
IUPAC NAME: 2-(N-cyclohexylanilino)ethyl-methyl-di(propan-2-yl)azanium iodide
SYSTEMATIC NAME: 2-[cyclohexyl(phenyl)amino]ethyl-methyl-di(propan-2-yl)azanium iodide
MOLECULAR FORMULA: C21H37IN2
MOLECULAR WEIGHT: 444.43635
SMILES: CC(C)[N+](C)(CCN(C1CCCCC1)C2=CC=CC=C2)C(C)C.[I-]
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Product OPENEYE NAME: 2-(N-cyclohexylanilino)ethyl-diisopropyl-methyl-ammonium
CAS Name: 2-(N-cyclohexylanilino)ethyl-methyl-di(propan-2-yl)ammonium
IUPAC NAME: 2-(N-cyclohexylanilino)ethyl-methyl-di(propan-2-yl)azanium
SYSTEMATIC NAME: 2-[cyclohexyl(phenyl)amino]ethyl-methyl-di(propan-2-yl)azanium
MOLECULAR FORMULA: C21H37N2+
MOLECULAR WEIGHT: 317.53188
SMILES: CC(C)[N+](C)(CCN(C1CCCCC1)C2=CC=CC=C2)C(C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10Cl6O2
MOLECULAR WEIGHT: 398.9246
SMILES: C1C2C3C(C1C(C2O)O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 2-fluoropropanedioic acid
CAS Name: 2-fluoropropanedioic acid
IUPAC NAME: 2-fluoropropanedioic acid
SYSTEMATIC NAME: 2-fluoranylpropanedioic acid
MOLECULAR FORMULA: C3H3FO4
MOLECULAR WEIGHT: 122.051923
SMILES: C(C(=O)O)(C(=O)O)F
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Product OPENEYE NAME: (4,4,5,5,6,6,6-heptafluoro-2-iodo-hexyl) acetate
CAS Name: acetic acid (4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) ester
IUPAC NAME: (4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) acetate
SYSTEMATIC NAME: [4,4,5,5,6,6,6-heptakis(fluoranyl)-2-iodanyl-hexyl] ethanoate
MOLECULAR FORMULA: C8H8F7IO2
MOLECULAR WEIGHT: 396.041212
SMILES: CC(=O)OCC(CC(C(C(F)(F)F)(F)F)(F)F)I
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