Product OPENEYE NAME: methyl (1R,4R,8S)-8-chloro-3-ethyl-5-azoniabicyclo[2.2.2]oct-2-ene-8-carboxylate
CAS Name: (1R,4R,8S)-8-chloro-3-ethyl-5-azoniabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester
IUPAC NAME: methyl (1R,4R,8S)-8-chloro-3-ethyl-5-azoniabicyclo[2.2.2]oct-2-ene-8-carboxylate
SYSTEMATIC NAME: methyl (1R,4R,8S)-8-chloranyl-3-ethyl-5-azoniabicyclo[2.2.2]oct-2-ene-8-carboxylate
MOLECULAR FORMULA: C11H17ClNO2+
MOLECULAR WEIGHT: 230.71118
SMILES: CCC1=C[C@H]2C[C@]([C@@H]1[NH2+]C2)(C(=O)OC)Cl
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MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CCC1=C[C@@H]2C[C@@]3([C@H]1N(C2)C(=O)CC4=CNC5=CC=CC3=C45)C(=O)OC
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Product OPENEYE NAME: O5-benzyl O8-methyl (1R,4R,8S)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
CAS Name: (1R,4R,8S)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylic acid O8-methyl ester O5-(phenylmethyl) ester
IUPAC NAME: 5-O-benzyl 8-O-methyl (1R,4R,8S)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
SYSTEMATIC NAME: O8-methyl O5-(phenylmethyl) (1R,4R,8S)-8-chloranyl-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: CCC1=C[C@H]2C[C@]([C@@H]1N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)OC)Cl
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Product OPENEYE NAME: O5-benzyl O8-methyl (1R,4R,8R)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
CAS Name: (1R,4R,8R)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylic acid O8-methyl ester O5-(phenylmethyl) ester
IUPAC NAME: 5-O-benzyl 8-O-methyl (1R,4R,8R)-8-chloro-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
SYSTEMATIC NAME: O8-methyl O5-(phenylmethyl) (1R,4R,8R)-8-chloranyl-3-ethyl-5-azabicyclo[2.2.2]oct-2-ene-5,8-dicarboxylate
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: CCC1=C[C@H]2C[C@@]([C@@H]1N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)OC)Cl
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Product OPENEYE NAME: O2-benzyl O6-methyl (1R,4R,6R)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CAS Name: (1R,4R,6R)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylic acid O6-methyl ester O2-(phenylmethyl) ester
IUPAC NAME: 2-O-benzyl 6-O-methyl (1R,4R,6R)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
SYSTEMATIC NAME: O6-methyl O2-(phenylmethyl) (1R,4R,6R)-6-chloranyl-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: CC[C@@]12C[C@@]([C@@H](C=C1)N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)OC)Cl
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Product OPENEYE NAME: O2-benzyl O6-methyl (1R,4R,6S)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
CAS Name: (1R,4R,6S)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylic acid O6-methyl ester O2-(phenylmethyl) ester
IUPAC NAME: 2-O-benzyl 6-O-methyl (1R,4R,6S)-6-chloro-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
SYSTEMATIC NAME: O6-methyl O2-(phenylmethyl) (1R,4R,6S)-6-chloranyl-4-ethyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: CC[C@@]12C[C@]([C@@H](C=C1)N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)OC)Cl
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Product OPENEYE NAME: methyl (1R,4R,6S)-6-chloro-4-ethyl-2-[2-(1H-indol-3-yl)acetyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
CAS Name: (1R,4R,6S)-6-chloro-4-ethyl-2-[2-(1H-indol-3-yl)-1-oxoethyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylic acid methyl ester
IUPAC NAME: methyl (1R,4R,6S)-6-chloro-4-ethyl-2-[2-(1H-indol-3-yl)acetyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
SYSTEMATIC NAME: methyl (1R,4R,6S)-6-chloranyl-4-ethyl-2-[2-(1H-indol-3-yl)ethanoyl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate
MOLECULAR FORMULA: C21H23ClN2O3
MOLECULAR WEIGHT: 386.87192
SMILES: CC[C@@]12C[C@]([C@@H](C=C1)N(C2)C(=O)CC3=CNC4=CC=CC=C43)(C(=O)OC)Cl
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Product OPENEYE NAME: methyl (1S,4R,5S)-6-ethyl-3-[2-(1H-indol-3-yl)acetyl]-4-methoxy-3-azabicyclo[3.2.1]oct-6-ene-5-carboxylate
CAS Name: (1S,4R,5S)-6-ethyl-3-[2-(1H-indol-3-yl)-1-oxoethyl]-4-methoxy-3-azabicyclo[3.2.1]oct-6-ene-5-carboxylic acid methyl ester
IUPAC NAME: methyl (1S,4R,5S)-6-ethyl-3-[2-(1H-indol-3-yl)acetyl]-4-methoxy-3-azabicyclo[3.2.1]oct-6-ene-5-carboxylate
SYSTEMATIC NAME: methyl (1S,4R,5S)-6-ethyl-3-[2-(1H-indol-3-yl)ethanoyl]-4-methoxy-3-azabicyclo[3.2.1]oct-6-ene-5-carboxylate
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: CCC1=C[C@@H]2C[C@]1([C@H](N(C2)C(=O)CC3=CNC4=CC=CC=C43)OC)C(=O)OC
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Product OPENEYE NAME: methyl-(4-oxo-4-pyridin-1-ium-3-yl-butyl)ammonium
CAS Name: methyl-[4-oxo-4-(3-pyridin-1-iumyl)butyl]ammonium
IUPAC NAME: methyl-(4-oxo-4-pyridin-1-ium-3-ylbutyl)azanium
SYSTEMATIC NAME: methyl-(4-oxidanylidene-4-pyridin-1-ium-3-yl-butyl)azanium
MOLECULAR FORMULA: C10H16N2O+2
MOLECULAR WEIGHT: 180.24684
SMILES: C[NH2+]CCCC(=O)C1=C[NH+]=CC=C1
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Product OPENEYE NAME: (3E,6Z,8E)-dodeca-3,6,8-trien-1-ol
CAS Name: (3E,6Z,8E)-1-dodeca-3,6,8-trienol
IUPAC NAME: (3E,6Z,8E)-dodeca-3,6,8-trien-1-ol
SYSTEMATIC NAME: (3E,6Z,8E)-dodeca-3,6,8-trien-1-ol
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CCC/C=C/C=C\C/C=C/CCO
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Product OPENEYE NAME: (3E,6Z,8Z)-dodeca-3,6,8-trien-1-ol
CAS Name: (3E,6Z,8Z)-1-dodeca-3,6,8-trienol
IUPAC NAME: (3E,6Z,8Z)-dodeca-3,6,8-trien-1-ol
SYSTEMATIC NAME: (3E,6Z,8Z)-dodeca-3,6,8-trien-1-ol
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CCC/C=C\C=C/C/C=C/CCO
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Product OPENEYE NAME: 7,19,30-trihydroxy-1,13-dimethyl-3,11,15,23,26,34-hexaoxa-7,19,30-triazabicyclo[11.11.11]pentatriacontane-8,18,31-trione
CAS Name: 7,19,30-trihydroxy-1,13-dimethyl-3,11,15,23,26,34-hexaoxa-7,19,30-triazabicyclo[11.11.11]pentatriacontane-8,18,31-trione
IUPAC NAME: 7,19,30-trihydroxy-1,13-dimethyl-3,11,15,23,26,34-hexaoxa-7,19,30-triazabicyclo[11.11.11]pentatriacontane-8,18,31-trione
SYSTEMATIC NAME: 1,13-dimethyl-7,19,30-tris(oxidanyl)-3,11,15,23,26,34-hexaoxa-7,19,30-triazabicyclo[11.11.11]pentatriacontane-8,18,31-trione
MOLECULAR FORMULA: C28H51N3O12
MOLECULAR WEIGHT: 621.71744
SMILES: CC12COCCCN(C(=O)CCOCC(COCCC(=O)N(CCCOC1)O)(COCCC(=O)N(CCCOC2)O)C)O
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Product OPENEYE NAME: (1,4-dimethyl-4-trimethylsilyloxy-cyclohexa-2,5-dien-1-yl) acetate
CAS Name: acetic acid (1,4-dimethyl-4-trimethylsilyloxy-1-cyclohexa-2,5-dienyl) ester
IUPAC NAME: (1,4-dimethyl-4-trimethylsilyloxycyclohexa-2,5-dien-1-yl) acetate
SYSTEMATIC NAME: (1,4-dimethyl-4-trimethylsilyloxy-cyclohexa-2,5-dien-1-yl) ethanoate
MOLECULAR FORMULA: C13H22O3Si
MOLECULAR WEIGHT: 254.39748
SMILES: CC(=O)OC1(C=CC(C=C1)(C)O[Si](C)(C)C)C
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Product OPENEYE NAME: [(1S,4S)-3-chloro-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-yl] acetate
CAS Name: acetic acid [(1S,4S)-3-chloro-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienyl] ester
IUPAC NAME: [(1S,4S)-3-chloro-4-hydroxy-4-methylcyclohexa-2,5-dien-1-yl] acetate
SYSTEMATIC NAME: [(1S,4S)-3-chloranyl-4-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl] ethanoate
MOLECULAR FORMULA: C9H11ClO3
MOLECULAR WEIGHT: 202.63484
SMILES: CC(=O)O[C@H]1C=C[C@](C(=C1)Cl)(C)O
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Product OPENEYE NAME: [(1S,4R)-3-fluoro-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-yl] acetate
CAS Name: acetic acid [(1S,4R)-3-fluoro-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienyl] ester
IUPAC NAME: [(1S,4R)-3-fluoro-4-hydroxy-4-methylcyclohexa-2,5-dien-1-yl] acetate
SYSTEMATIC NAME: [(1S,4R)-3-fluoranyl-4-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl] ethanoate
MOLECULAR FORMULA: C9H11FO3
MOLECULAR WEIGHT: 186.180243
SMILES: CC(=O)O[C@H]1C=C[C@@](C(=C1)F)(C)O
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