Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N2O3
MOLECULAR WEIGHT: 364.43756
SMILES: COC1=CC2=C(C=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5
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Product OPENEYE NAME: [4-(dimethylamino)-1-ethyl-2,2-diphenyl-pentyl] acetate
CAS Name: acetic acid [6-(dimethylamino)-4,4-diphenylheptan-3-yl] ester
IUPAC NAME: [6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
SYSTEMATIC NAME: [6-(dimethylamino)-4,4-diphenyl-heptan-3-yl] ethanoate
MOLECULAR FORMULA: C23H31NO2
MOLECULAR WEIGHT: 353.49774
SMILES: CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
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Product OPENEYE NAME: 5-(cyclohepten-1-yl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(1-cycloheptenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2
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Product OPENEYE NAME: diethyl-[2-[(2-hydroxy-2,2-diphenyl-acetyl)-methyl-amino]ethyl]-methyl-ammonium chloride
CAS Name: diethyl-[2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)-methylamino]ethyl]-methylammonium chloride
IUPAC NAME: diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium chloride
SYSTEMATIC NAME: diethyl-methyl-[2-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]ethyl]azanium chloride
MOLECULAR FORMULA: C22H31ClN2O2
MOLECULAR WEIGHT: 390.94674
SMILES: CC[N+](C)(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Cl-]
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Product OPENEYE NAME: diethyl-[2-[(2-hydroxy-2,2-diphenyl-acetyl)-methyl-amino]ethyl]-methyl-ammonium
CAS Name: diethyl-[2-[(2-hydroxy-1-oxo-2,2-diphenylethyl)-methylamino]ethyl]-methylammonium
IUPAC NAME: diethyl-[2-[(2-hydroxy-2,2-diphenylacetyl)-methylamino]ethyl]-methylazanium
SYSTEMATIC NAME: diethyl-methyl-[2-[methyl-(2-oxidanyl-2,2-diphenyl-ethanoyl)amino]ethyl]azanium
MOLECULAR FORMULA: C22H31N2O2+
MOLECULAR WEIGHT: 355.49374
SMILES: CC[N+](C)(CC)CCN(C)C(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
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Product OPENEYE NAME: bis[4-(dimethylamino)phenyl]-phenyl-methanol
CAS Name: bis[4-(dimethylamino)phenyl]-phenylmethanol
IUPAC NAME: bis[4-(dimethylamino)phenyl]-phenylmethanol
SYSTEMATIC NAME: bis[4-(dimethylamino)phenyl]-phenyl-methanol
MOLECULAR FORMULA: C23H26N2O
MOLECULAR WEIGHT: 346.46534
SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N(C)C)O
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Product OPENEYE NAME: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxy-acetate
CAS Name: 2,2-bis(4-chlorophenyl)-2-hydroxyacetic acid ethyl ester
IUPAC NAME: ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SYSTEMATIC NAME: ethyl 2,2-bis(4-chlorophenyl)-2-oxidanyl-ethanoate
MOLECULAR FORMULA: C16H14Cl2O3
MOLECULAR WEIGHT: 325.18656
SMILES: CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
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Product OPENEYE NAME: [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
CAS Name: (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl ester
IUPAC NAME: [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: [(1S,8S)-4-oxidanidyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C15H27NO5
MOLECULAR WEIGHT: 301.37858
SMILES: CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO
MOLECULAR WEIGHT: 271.3972
SMILES: CN1CC[C@]23CCCCC2[C@@H]1CC4=C3C=C(C=C4)OC
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Product OPENEYE NAME: (5S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (5S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(6-oxo-3-pyranyl)-5-[[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (5S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (5S,10S,13R,14S,17R)-5-[(2S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H40O10
MOLECULAR WEIGHT: 560.6326
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CCC=C5)C=O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O
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Product OPENEYE NAME: (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,10S,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,10S,13R,14S,17R)-13-methyl-3,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C24H30O5
MOLECULAR WEIGHT: 398.492
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C=O)O
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Product OPENEYE NAME: benzyl 2-[(dimethylamino)methyl]-2-phenyl-butanoate hydrochloride
CAS Name: 2-[(dimethylamino)methyl]-2-phenylbutanoic acid (phenylmethyl) ester hydrochloride
IUPAC NAME: benzyl 2-[(dimethylamino)methyl]-2-phenylbutanoate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) 2-[(dimethylamino)methyl]-2-phenyl-butanoate hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: CCC(CN(C)C)(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.Cl
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Product OPENEYE NAME: benzyl 2-[(dimethylamino)methyl]-2-phenyl-butanoate
CAS Name: 2-[(dimethylamino)methyl]-2-phenylbutanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-[(dimethylamino)methyl]-2-phenylbutanoate
SYSTEMATIC NAME: (phenylmethyl) 2-[(dimethylamino)methyl]-2-phenyl-butanoate
MOLECULAR FORMULA: C20H25NO2
MOLECULAR WEIGHT: 311.418
SMILES: CCC(CN(C)C)(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H37N5O5
MOLECULAR WEIGHT: 583.67738
SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
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Product OPENEYE NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate bromide
CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide
IUPAC NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
SYSTEMATIC NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate bromide
MOLECULAR FORMULA: C30H34BrNO3
MOLECULAR WEIGHT: 536.49986
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5.[Br-]
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Product OPENEYE NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate
CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] ester
IUPAC NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
SYSTEMATIC NAME: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate
MOLECULAR FORMULA: C30H34NO3+
MOLECULAR WEIGHT: 456.59586
SMILES: C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane
CAS Name: 3-methyl-2-methylene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
IUPAC NAME: 3-methyl-2-methylidene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-methyl-2-methylidene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(=CCCC1(C2CCC(C2)C1=C)C)C
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Product OPENEYE NAME: 2-bromo-2-ethyl-butanamide
CAS Name: 2-bromo-2-ethylbutanamide
IUPAC NAME: 2-bromo-2-ethylbutanamide
SYSTEMATIC NAME: 2-bromanyl-2-ethyl-butanamide
MOLECULAR FORMULA: C6H12BrNO
MOLECULAR WEIGHT: 194.06958
SMILES: CCC(CC)(C(=O)N)Br
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Product OPENEYE NAME:
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IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: C[C@@H]1CC[C@@]2([C@H](C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)OC1
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Product OPENEYE NAME: cerium(3+); 1-(hydroxymethyl)ethane-1,1,2-tricarboxylate
CAS Name: cerium(3+); 1-(hydroxymethyl)ethane-1,1,2-tricarboxylate
IUPAC NAME: cerium(3+); 1-(hydroxymethyl)ethane-1,1,2-tricarboxylate
SYSTEMATIC NAME: cerium(3+); 1-(hydroxymethyl)ethane-1,1,2-tricarboxylate
MOLECULAR FORMULA: C6H5CeO7
MOLECULAR WEIGHT: 329.2157
SMILES: C(C(=O)[O-])C(CO)(C(=O)[O-])C(=O)[O-].[Ce+3]
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Product OPENEYE NAME: 1-(hydroxymethyl)ethane-1,1,2-tricarboxylic acid
CAS Name: 1-(hydroxymethyl)ethane-1,1,2-tricarboxylic acid
IUPAC NAME: 1-(hydroxymethyl)ethane-1,1,2-tricarboxylic acid
SYSTEMATIC NAME: 1-(hydroxymethyl)ethane-1,1,2-tricarboxylic acid
MOLECULAR FORMULA: C6H8O7
MOLECULAR WEIGHT: 192.12352
SMILES: C(C(=O)O)C(CO)(C(=O)O)C(=O)O
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MOLECULAR FORMULA: C12H22N3OP
MOLECULAR WEIGHT: 255.296341
SMILES: C1CC2CCCC3C2C(C1)NP(=O)(N3)N4CC4
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Product OPENEYE NAME: trimethyl phosphate
CAS Name: phosphoric acid trimethyl ester
IUPAC NAME: trimethyl phosphate
SYSTEMATIC NAME: trimethyl phosphate
MOLECULAR FORMULA: C3H9O4P
MOLECULAR WEIGHT: 140.074921
SMILES: COP(=O)(OC)OC
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Product OPENEYE NAME: (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O
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