Product OPENEYE NAME: 4-(3-carboxybut-3-enoyloxy)-2-methylene-4-oxo-butanoic acid
CAS Name: 4-(3-carboxy-1-oxobut-3-enoxy)-2-methylene-4-oxobutanoic acid
IUPAC NAME: 4-(3-carboxybut-3-enoyloxy)-2-methylidene-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(3-carboxybut-3-enoyloxy)-2-methylidene-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H10O7
MOLECULAR WEIGHT: 242.1822
SMILES: C=C(CC(=O)OC(=O)CC(=C)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-(3-carboxybutanoyloxy)-2-methyl-4-oxo-butanoic acid
CAS Name: 4-(3-carboxy-1-oxobutoxy)-2-methyl-4-oxobutanoic acid
IUPAC NAME: 4-(3-carboxybutanoyloxy)-2-methyl-4-oxobutanoic acid
SYSTEMATIC NAME: 2-methyl-4-(3-methyl-4-oxidanyl-4-oxidanylidene-butanoyl)oxy-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H14O7
MOLECULAR WEIGHT: 246.21396
SMILES: CC(CC(=O)OC(=O)CC(C)C(=O)O)C(=O)O
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Product OPENEYE NAME: 1-butyl-1-methyl-pyrazolidin-1-ium-3-olate
CAS Name: 1-butyl-1-methyl-3-pyrazolidin-1-iumolate
IUPAC NAME: 1-butyl-1-methylpyrazolidin-1-ium-3-olate
SYSTEMATIC NAME: 1-butyl-1-methyl-pyrazolidin-1-ium-3-olate
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CCCC[N+]1(CCC(N1)[O-])C
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Product OPENEYE NAME: 1-butyl-1-methyl-pyrazolidin-1-ium-3-ol
CAS Name: 1-butyl-1-methyl-3-pyrazolidin-1-iumol
IUPAC NAME: 1-butyl-1-methylpyrazolidin-1-ium-3-ol
SYSTEMATIC NAME: 1-butyl-1-methyl-pyrazolidin-1-ium-3-ol
MOLECULAR FORMULA: C8H19N2O+
MOLECULAR WEIGHT: 159.24926
SMILES: CCCC[N+]1(CCC(N1)O)C
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Product OPENEYE NAME: [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] acetate
CAS Name: acetic acid [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] ester
IUPAC NAME: [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxo-1,4-thiazepan-6-yl] acetate
SYSTEMATIC NAME: [(6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-5-oxidanylidene-1,4-thiazepan-6-yl] ethanoate
MOLECULAR FORMULA: C18H26N2O4S
MOLECULAR WEIGHT: 366.47504
SMILES: CC(=O)O[C@@H]1[C@@H](SCCN(C1=O)CCN(C)C)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: (6S,7S)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
CAS Name: (6S,7S)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
IUPAC NAME: (6S,7S)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
SYSTEMATIC NAME: (6S,7S)-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NCCS2)O
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Product OPENEYE NAME: (6S,7S)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
CAS Name: (6S,7S)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
IUPAC NAME: (6S,7S)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
SYSTEMATIC NAME: (6S,7S)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: CN(C)CCN1CCS[C@H]([C@H](C1=O)O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: COC(=O)C1=C[C@H]2C3CCOC3[C@@H]1OC2=O
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Product OPENEYE NAME: 3-(4-methoxyphenyl)-7a-morpholino-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
CAS Name: 3-(4-methoxyphenyl)-7a-(4-morpholinyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
IUPAC NAME: 3-(4-methoxyphenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: COC1=CC=C(C=C1)C2=NOC3(C2CCCC3)N4CCOCC4
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-7a-morpholino-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
CAS Name: 3-(3,4-dimethoxyphenyl)-7a-(4-morpholinyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
MOLECULAR FORMULA: C19H26N2O4
MOLECULAR WEIGHT: 346.42074
SMILES: COC1=C(C=C(C=C1)C2=NOC3(C2CCCC3)N4CCOCC4)OC
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Product OPENEYE NAME: 3-(4-chlorophenyl)-7a-morpholino-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
CAS Name: 3-(4-chlorophenyl)-7a-(4-morpholinyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
IUPAC NAME: 3-(4-chlorophenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-7a-morpholin-4-yl-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
MOLECULAR FORMULA: C17H21ClN2O2
MOLECULAR WEIGHT: 320.81384
SMILES: C1CCC2(C(C1)C(=NO2)C3=CC=C(C=C3)Cl)N4CCOCC4
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Product OPENEYE NAME: 7a-morpholino-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
CAS Name: 7a-(4-morpholinyl)-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
IUPAC NAME: 7a-morpholin-4-yl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
SYSTEMATIC NAME: 7a-morpholin-4-yl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-3aH-1,2-benzoxazole
MOLECULAR FORMULA: C17H21N3O4
MOLECULAR WEIGHT: 331.36634
SMILES: C1CCC2(C(C1)C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-6a-morpholino-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
CAS Name: 3-(3,4-dimethoxyphenyl)-6a-(4-morpholinyl)-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-6a-morpholin-4-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-6a-morpholin-4-yl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
MOLECULAR FORMULA: C18H24N2O4
MOLECULAR WEIGHT: 332.39416
SMILES: COC1=C(C=C(C=C1)C2=NOC3(C2CCC3)N4CCOCC4)OC
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Product OPENEYE NAME: 6a-(4-methylmorpholin-4-ium-4-yl)-3-phenyl-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
CAS Name: 6a-(4-methyl-4-morpholin-4-iumyl)-3-phenyl-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
IUPAC NAME: 6a-(4-methylmorpholin-4-ium-4-yl)-3-phenyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
SYSTEMATIC NAME: 6a-(4-methylmorpholin-4-ium-4-yl)-3-phenyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
MOLECULAR FORMULA: C17H23N2O2+
MOLECULAR WEIGHT: 287.37672
SMILES: C[N+]1(CCOCC1)C23CCCC2C(=NO3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-6a-(4-methylmorpholin-4-ium-4-yl)-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
CAS Name: 3-(3,4-dimethoxyphenyl)-6a-(4-methyl-4-morpholin-4-iumyl)-3a,4,5,6-tetrahydrocyclopenta[d]isoxazole
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-6a-(4-methylmorpholin-4-ium-4-yl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-6a-(4-methylmorpholin-4-ium-4-yl)-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazole
MOLECULAR FORMULA: C19H27N2O4+
MOLECULAR WEIGHT: 347.42868
SMILES: C[N+]1(CCOCC1)C23CCCC2C(=NO3)C4=CC(=C(C=C4)OC)OC
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Product OPENEYE NAME: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CAS Name: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
IUPAC NAME: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: C1CCC2=C(C1)C(=NO2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CAS Name: 3-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
IUPAC NAME: 3-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
SYSTEMATIC NAME: 3-(4-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: C1CCC2=C(C1)C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 3-phenyl-5,6-dihydro-4H-cyclopenta[d]isoxazole
CAS Name: 3-phenyl-5,6-dihydro-4H-cyclopenta[d]isoxazole
IUPAC NAME: 3-phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SYSTEMATIC NAME: 3-phenyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1CC2=C(C1)ON=C2C3=CC=CC=C3
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Product OPENEYE NAME: 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole
CAS Name: 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]isoxazole
IUPAC NAME: 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: COC1=C(C=C(C=C1)C2=NOC3=C2CCC3)OC
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Product OPENEYE NAME: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-prop-1-en-1-olate
CAS Name: (E,3Z)-1-ethoxy-3-[(2-ethoxy-2-oxoethyl)thio]-3-(4-methylphenyl)sulfonylimino-2-(1-pyridin-1-iumyl)-1-propen-1-olate
IUPAC NAME: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxoethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-ylprop-1-en-1-olate
SYSTEMATIC NAME: (E,3Z)-1-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-yl-prop-1-en-1-olate
MOLECULAR FORMULA: C21H24N2O6S2
MOLECULAR WEIGHT: 464.55506
SMILES: CCOC(=O)CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C(=C(/[O-])\OCC)/[N+]2=CC=CC=C2
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Product OPENEYE NAME: (E,3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-3-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-(p-tolylsulfonylimino)prop-1-en-1-olate
CAS Name: (E,3Z)-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-ethoxy-3-[(2-ethoxy-2-oxoethyl)thio]-3-(4-methylphenyl)sulfonylimino-1-propen-1-olate
IUPAC NAME: (E,3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-3-(2-ethoxy-2-oxoethyl)sulfanyl-3-(4-methylphenyl)sulfonyliminoprop-1-en-1-olate
SYSTEMATIC NAME: (E,3Z)-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-(4-methylphenyl)sulfonylimino-prop-1-en-1-olate
MOLECULAR FORMULA: C23H28N2O6S2
MOLECULAR WEIGHT: 492.60822
SMILES: CCOC(=O)CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/C(=C(/[O-])\OCC)/[N+]2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 1-methylbenzo[c]quinolizin-11-ium
CAS Name: 1-methylbenzo[c]quinolizin-11-ium
IUPAC NAME: 1-methylbenzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 1-methylbenzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C14H12N+
MOLECULAR WEIGHT: 194.25178
SMILES: CC1=CC=CC2=[N+]1C3=CC=CC=C3C=C2
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