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MOLECULAR FORMULA: C23H31N3O
MOLECULAR WEIGHT: 365.51174
SMILES: CCCCN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC
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MOLECULAR FORMULA: C21H27N3O
MOLECULAR WEIGHT: 337.45858
SMILES: CCN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC
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Product OPENEYE NAME: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: sodium (2S)-6-[[anilino(oxo)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C15H16N3NaO4S
MOLECULAR WEIGHT: 357.36001
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NC3=CC=CC=C3)C(=O)[O-])C.[Na+]
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Product OPENEYE NAME: (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S)-6-[[anilino(oxo)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S)-3,3-dimethyl-7-oxidanylidene-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C15H17N3O4S
MOLECULAR WEIGHT: 335.37818
SMILES: CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NC3=CC=CC=C3)C(=O)O)C
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Product OPENEYE NAME: sodium [5-[(E)-heptadec-8-enyl]tetrahydrofuran-2-yl]methyl hydrogen phosphate
CAS Name: sodium [5-[(E)-heptadec-8-enyl]-2-oxolanyl]methyl hydrogen phosphate
IUPAC NAME: sodium [5-[(E)-heptadec-8-enyl]oxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: sodium [5-[(E)-heptadec-8-enyl]oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C22H42NaO5P
MOLECULAR WEIGHT: 440.529411
SMILES: CCCCCCCC/C=C/CCCCCCCC1CCC(O1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: [5-[(E)-heptadec-8-enyl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [5-[(E)-heptadec-8-enyl]-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [5-[(E)-heptadec-8-enyl]oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-[(E)-heptadec-8-enyl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C22H43O5P
MOLECULAR WEIGHT: 418.547581
SMILES: CCCCCCCC/C=C/CCCCCCCC1CCC(O1)COP(=O)(O)O
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Product OPENEYE NAME: sodium (5-pentadecyltetrahydrofuran-2-yl)methyl hydrogen phosphate
CAS Name: sodium (5-pentadecyl-2-oxolanyl)methyl hydrogen phosphate
IUPAC NAME: sodium (5-pentadecyloxolan-2-yl)methyl hydrogen phosphate
SYSTEMATIC NAME: sodium (5-pentadecyloxolan-2-yl)methyl hydrogen phosphate
MOLECULAR FORMULA: C20H40NaO5P
MOLECULAR WEIGHT: 414.492131
SMILES: CCCCCCCCCCCCCCCC1CCC(O1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: (5-pentadecyltetrahydrofuran-2-yl)methyl dihydrogen phosphate
CAS Name: (5-pentadecyl-2-oxolanyl)methyl dihydrogen phosphate
IUPAC NAME: (5-pentadecyloxolan-2-yl)methyl dihydrogen phosphate
SYSTEMATIC NAME: (5-pentadecyloxolan-2-yl)methyl dihydrogen phosphate
MOLECULAR FORMULA: C20H41O5P
MOLECULAR WEIGHT: 392.510301
SMILES: CCCCCCCCCCCCCCCC1CCC(O1)COP(=O)(O)O
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Product OPENEYE NAME: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate
CAS Name: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate
IUPAC NAME: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: sodium [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C22H42NaO6P
MOLECULAR WEIGHT: 456.528811
SMILES: CCCCCCCC/C=C/CCCCCCCC1COC(CO1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl dihydrogen phosphate
CAS Name: [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl dihydrogen phosphate
IUPAC NAME: [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-[(E)-heptadec-8-enyl]-1,4-dioxan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C22H43O6P
MOLECULAR WEIGHT: 434.546981
SMILES: CCCCCCCC/C=C/CCCCCCCC1COC(CO1)COP(=O)(O)O
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Product OPENEYE NAME: sodium (5-pentadecyl-1,4-dioxan-2-yl)methyl hydrogen phosphate
CAS Name: sodium (5-pentadecyl-1,4-dioxan-2-yl)methyl hydrogen phosphate
IUPAC NAME: sodium (5-pentadecyl-1,4-dioxan-2-yl)methyl hydrogen phosphate
SYSTEMATIC NAME: sodium (5-pentadecyl-1,4-dioxan-2-yl)methyl hydrogen phosphate
MOLECULAR FORMULA: C20H40NaO6P
MOLECULAR WEIGHT: 430.491531
SMILES: CCCCCCCCCCCCCCCC1COC(CO1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: (5-pentadecyl-1,4-dioxan-2-yl)methyl dihydrogen phosphate
CAS Name: (5-pentadecyl-1,4-dioxan-2-yl)methyl dihydrogen phosphate
IUPAC NAME: (5-pentadecyl-1,4-dioxan-2-yl)methyl dihydrogen phosphate
SYSTEMATIC NAME: (5-pentadecyl-1,4-dioxan-2-yl)methyl dihydrogen phosphate
MOLECULAR FORMULA: C20H41O6P
MOLECULAR WEIGHT: 408.509701
SMILES: CCCCCCCCCCCCCCCC1COC(CO1)COP(=O)(O)O
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Product OPENEYE NAME: 5-(1,3-benzoxazol-2-yl)-3-methyl-1,3,4-oxadiazol-2-one
CAS Name: 5-(1,3-benzoxazol-2-yl)-3-methyl-1,3,4-oxadiazol-2-one
IUPAC NAME: 5-(1,3-benzoxazol-2-yl)-3-methyl-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(1,3-benzoxazol-2-yl)-3-methyl-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C10H7N3O3
MOLECULAR WEIGHT: 217.18088
SMILES: CN1C(=O)OC(=N1)C2=NC3=CC=CC=C3O2
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Product OPENEYE NAME: 5-chloro-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-chloro-N-[[(2S)-1-nonyl-2-pyrrolidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-chloro-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C23H35ClN2O2
MOLECULAR WEIGHT: 406.9892
SMILES: CCCCCCCCCN1CCC[C@H]1CNC(=O)C2=CC(=CC3=C2OCC3)Cl
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Product OPENEYE NAME: 5-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-chloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H21ClN2O2
MOLECULAR WEIGHT: 308.80314
SMILES: CCN1CCC[C@H]1CNC(=O)C2=CC(=CC3=C2OCC3)Cl
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Product OPENEYE NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CAS Name: N-[[(2R)-1-butyl-2-pyrrolidinyl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C19H26ClN3O3
MOLECULAR WEIGHT: 379.88104
SMILES: CCCCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCC(=O)N3C)Cl
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Product OPENEYE NAME: 5-(1,3-benzoxazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-1,3,4-oxadiazol-2-one
CAS Name: 5-(1,3-benzoxazol-2-yl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one
IUPAC NAME: 5-(1,3-benzoxazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(1,3-benzoxazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C18H11N3O4
MOLECULAR WEIGHT: 333.29764
SMILES: C1=CC=C(C=C1)/C=C/C(=O)N2C(=O)OC(=N2)C3=NC4=CC=CC=C4O3
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Product OPENEYE NAME: sodium [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl hydrogen phosphate
CAS Name: sodium [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl hydrogen phosphate
IUPAC NAME: sodium [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: sodium [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C21H40NaO5PS
MOLECULAR WEIGHT: 458.567831
SMILES: CCCCCCCC/C=C/CCCCCCCC1OC(CS1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl dihydrogen phosphate
CAS Name: [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl dihydrogen phosphate
IUPAC NAME: [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [2-[(E)-heptadec-8-enyl]-1,3-oxathiolan-5-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C21H41O5PS
MOLECULAR WEIGHT: 436.586001
SMILES: CCCCCCCC/C=C/CCCCCCCC1OC(CS1)COP(=O)(O)O
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Product OPENEYE NAME: sodium [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl hydrogen phosphate
CAS Name: sodium [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl hydrogen phosphate
IUPAC NAME: sodium [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl hydrogen phosphate
SYSTEMATIC NAME: sodium [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl hydrogen phosphate
MOLECULAR FORMULA: C23H44NaO4P
MOLECULAR WEIGHT: 438.556591
SMILES: CCCCCCCC/C=C/CCCCCCCC1CCC(C1)COP(=O)(O)[O-].[Na+]
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Product OPENEYE NAME: [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl dihydrogen phosphate
CAS Name: [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl dihydrogen phosphate
IUPAC NAME: [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [3-[(E)-heptadec-8-enyl]cyclopentyl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C23H45O4P
MOLECULAR WEIGHT: 416.574761
SMILES: CCCCCCCC/C=C/CCCCCCCC1CCC(C1)COP(=O)(O)O
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MOLECULAR FORMULA: C22H29N3O
MOLECULAR WEIGHT: 351.48516
SMILES: CCCN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC
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Product OPENEYE NAME: (2R,3S)-3-(1-hydroxy-2-phosphono-ethyl)piperidine-2-carboxylic acid
CAS Name: (2R,3S)-3-(1-hydroxy-2-phosphonoethyl)-2-piperidinecarboxylic acid
IUPAC NAME: (2R,3S)-3-(1-hydroxy-2-phosphonoethyl)piperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,3S)-3-(1-oxidanyl-2-phosphono-ethyl)piperidine-2-carboxylic acid
MOLECULAR FORMULA: C8H16NO6P
MOLECULAR WEIGHT: 253.189501
SMILES: C1C[C@@H]([C@@H](NC1)C(=O)O)C(CP(=O)(O)O)O
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