Product OPENEYE NAME: 2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxamide
CAS Name: 2-[[2-(diethylamino)-2-oxoethyl]thio]-N,N-diethyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxamide
IUPAC NAME: 2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N,N-diethyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxamide
SYSTEMATIC NAME: 2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxamide
MOLECULAR FORMULA: C33H62N2O3S
MOLECULAR WEIGHT: 566.92198
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)N(CC)CC)O)C(=O)N(CC)CC
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Product OPENEYE NAME: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-tetradec-2-enyl]cyclohexanecarboxylic acid
CAS Name: 2-(2-carboxyethylthio)-4-hydroxy-1-[(E)-tetradec-2-enyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-tetradec-2-enyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(3-hydroxy-3-oxopropylsulfanyl)-4-oxidanyl-1-[(E)-tetradec-2-enyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C24H42O5S
MOLECULAR WEIGHT: 442.65228
SMILES: CCCCCCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)O)O)C(=O)O
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Product OPENEYE NAME: 2-(2-amino-2-oxo-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid
CAS Name: 2-[(2-amino-2-oxoethyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(2-amino-2-oxoethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C25H45NO4S
MOLECULAR WEIGHT: 455.6941
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)N)O)C(=O)O
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Product OPENEYE NAME: 4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid
CAS Name: 4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-oxidanyl-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C23H40O3S
MOLECULAR WEIGHT: 396.6269
SMILES: C1CC(CCC1O)(C/C=C/CCCCCCCCCCCCC=S)C(=O)O
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Product OPENEYE NAME: 2-[2-[(1-carboxy-2-phenyl-ethyl)amino]-2-oxo-ethyl]-4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid
CAS Name: 2-[2-[(1-carboxy-2-phenylethyl)amino]-2-oxoethyl]-4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-[2-[(1-carboxy-2-phenylethyl)amino]-2-oxoethyl]-4-hydroxy-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-oxidanyl-2-[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C34H51NO6S
MOLECULAR WEIGHT: 601.83684
SMILES: C1CC(C(CC1O)CC(=O)NC(CC2=CC=CC=C2)C(=O)O)(C/C=C/CCCCCCCCCCCCC=S)C(=O)O
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Product OPENEYE NAME: [1-acetoxy-10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [1-acetyloxy-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [1-acetyloxy-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [1-acetyloxy-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C32H48O4
MOLECULAR WEIGHT: 496.72112
SMILES: CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2C=CC4=CC(CC(C34C)OC(=O)C)OC(=O)C)C
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Product OPENEYE NAME: 3-purin-7-ylpropane-1,1-diol
CAS Name: 3-(7-purinyl)propane-1,1-diol
IUPAC NAME: 3-purin-7-ylpropane-1,1-diol
SYSTEMATIC NAME: 3-purin-7-ylpropane-1,1-diol
MOLECULAR FORMULA: C8H10N4O2
MOLECULAR WEIGHT: 194.1906
SMILES: C1=C2C(=NC=N1)N=CN2CCC(O)O
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Product OPENEYE NAME: 2-amino-1-(2,3-dihydroxypropyl)-7H-purin-6-one
CAS Name: 2-amino-1-(2,3-dihydroxypropyl)-7H-purin-6-one
IUPAC NAME: 2-amino-1-(2,3-dihydroxypropyl)-7H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-1-[2,3-bis(oxidanyl)propyl]-7H-purin-6-one
MOLECULAR FORMULA: C8H11N5O3
MOLECULAR WEIGHT: 225.20464
SMILES: C1=NC2=C(N1)C(=O)N(C(=N2)N)CC(CO)O
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Product OPENEYE NAME: 1-ethyl-2-oct-7-enyl-cyclobutene
CAS Name: 1-ethyl-2-oct-7-enylcyclobutene
IUPAC NAME: 1-ethyl-2-oct-7-enylcyclobutene
SYSTEMATIC NAME: 1-ethyl-2-oct-7-enyl-cyclobutene
MOLECULAR FORMULA: C14H24
MOLECULAR WEIGHT: 192.34036
SMILES: CCC1=C(CC1)CCCCCCC=C
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Product OPENEYE NAME: 4-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2,6-dimethyl-5-octoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
CAS Name: 2,6-dimethyl-5-[octoxy(oxo)methyl]-4-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1,4-dihydropyridine-3-carboxylic acid
IUPAC NAME: 2,6-dimethyl-5-octoxycarbonyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-dimethyl-5-octoxycarbonyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
MOLECULAR FORMULA: C27H37N3O4
MOLECULAR WEIGHT: 467.60038
SMILES: CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C3C=CC=CN3N=C2C(C)C)C(=O)O)C)C
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Product OPENEYE NAME: (2E)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylene)butanoate
CAS Name: (2E)-3-oxo-2-(3-pyrazolo[1,5-a]pyridinylmethylidene)butanoate
IUPAC NAME: (2E)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoate
SYSTEMATIC NAME: (2E)-3-oxidanylidene-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoate
MOLECULAR FORMULA: C12H9N2O3-
MOLECULAR WEIGHT: 229.21146
SMILES: CC(=O)/C(=C\C1=C2C=CC=CN2N=C1)/C(=O)[O-]
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Product OPENEYE NAME: (2E)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylene)butanoic acid
CAS Name: (2E)-3-oxo-2-(3-pyrazolo[1,5-a]pyridinylmethylidene)butanoic acid
IUPAC NAME: (2E)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
SYSTEMATIC NAME: (2E)-3-oxidanylidene-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: CC(=O)/C(=C\C1=C2C=CC=CN2N=C1)/C(=O)O
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Product OPENEYE NAME: 4-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CAS Name: 5-methoxycarbonyl-2,6-dimethyl-4-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1,4-dihydropyridine-3-carboxylic acid
IUPAC NAME: 5-methoxycarbonyl-2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-methoxycarbonyl-2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C3C=CC=CN3N=C2C(C)C)C(=O)O
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Product OPENEYE NAME: 5-(3-pyridyloxycarbonyl)-1,4-dihydropyridine-3-carboxylate
CAS Name: 5-[oxo(3-pyridinyloxy)methyl]-1,4-dihydropyridine-3-carboxylate
IUPAC NAME: 5-pyridin-3-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: 5-pyridin-3-yloxycarbonyl-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C12H9N2O4-
MOLECULAR WEIGHT: 245.21086
SMILES: C1C(=CNC=C1C(=O)OC2=CN=CC=C2)C(=O)[O-]
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Product OPENEYE NAME: 5-(3-pyridyloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
CAS Name: 5-[oxo(3-pyridinyloxy)methyl]-1,4-dihydropyridine-3-carboxylic acid
IUPAC NAME: 5-pyridin-3-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-pyridin-3-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C1C(=CNC=C1C(=O)OC2=CN=CC=C2)C(=O)O
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Product OPENEYE NAME: 5-[2-(dimethylamino)ethoxycarbonyl]-4-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CAS Name: 5-[2-(dimethylamino)ethoxy-oxomethyl]-2,6-dimethyl-4-(2-propan-2-yl-3-pyrazolo[1,5-a]pyridinyl)-1,4-dihydropyridine-3-carboxylic acid
IUPAC NAME: 5-[2-(dimethylamino)ethoxycarbonyl]-2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-[2-(dimethylamino)ethoxycarbonyl]-2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3-carboxylic acid
MOLECULAR FORMULA: C23H30N4O4
MOLECULAR WEIGHT: 426.5087
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)C)C2=C3C=CC=CN3N=C2C(C)C)C(=O)O
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