Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H48
MOLECULAR WEIGHT: 372.67002
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
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Product OPENEYE NAME: (3S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CAS Name: (3S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC NAME: (3S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (3S)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CC12CC[C@@H](CC1CCC3C2CCC4(C3CCC4=O)C)O
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
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Product OPENEYE NAME: 5-hydroxy-2-methyl-naphthalene-1,4-dione
CAS Name: 5-hydroxy-2-methylnaphthalene-1,4-dione
IUPAC NAME: 5-hydroxy-2-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-methyl-5-oxidanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C11H8O3
MOLECULAR WEIGHT: 188.17942
SMILES: CC1=CC(=O)C2=C(C1=O)C=CC=C2O
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IUPAC NAME:
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MOLECULAR FORMULA: C37H38N2O6
MOLECULAR WEIGHT: 606.70742
SMILES: CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
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Product OPENEYE NAME: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
CAS Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
IUPAC NAME: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
SYSTEMATIC NAME: 3-(hydroxymethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
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Product OPENEYE NAME: 1,8-dihydroxy-3-methyl-anthracene-9,10-dione
CAS Name: 1,8-dihydroxy-3-methylanthracene-9,10-dione
IUPAC NAME: 1,8-dihydroxy-3-methylanthracene-9,10-dione
SYSTEMATIC NAME: 3-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
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Product OPENEYE NAME: 2-methylnaphthalene-1,4-diol
CAS Name: 2-methylnaphthalene-1,4-diol
IUPAC NAME: 2-methylnaphthalene-1,4-diol
SYSTEMATIC NAME: 2-methylnaphthalene-1,4-diol
MOLECULAR FORMULA: C11H10O2
MOLECULAR WEIGHT: 174.1959
SMILES: CC1=C(C2=CC=CC=C2C(=C1)O)O
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Product OPENEYE NAME: 2-(2-carboxyphenyl)benzoic acid
CAS Name: 2-(2-carboxyphenyl)benzoic acid
IUPAC NAME: 2-(2-carboxyphenyl)benzoic acid
SYSTEMATIC NAME: 2-(2-carboxyphenyl)benzoic acid
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O
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Product OPENEYE NAME: 9-[(2R)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-furo[3,2-g]chromen-7-one
CAS Name: 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-7-furo[3,2-g][1]benzopyranone
IUPAC NAME: 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-methoxy-9-[(2R)-3-methyl-2,3-bis(oxidanyl)butoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C17H18O7
MOLECULAR WEIGHT: 334.32062
SMILES: CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O
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Product OPENEYE NAME: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
CAS Name: 9-(3-methylbut-2-enoxy)-7-furo[3,2-g][1]benzopyranone
IUPAC NAME: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
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Product OPENEYE NAME: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CAS Name: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
IUPAC NAME: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]cyclohexyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C14H22N2O8
MOLECULAR WEIGHT: 346.33308
SMILES: C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl sulfo hydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate
MOLECULAR FORMULA: C10H15N5O13P2S
MOLECULAR WEIGHT: 507.264322
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O
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IUPAC NAME:
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MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC
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Product OPENEYE NAME: (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
CAS Name: (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
IUPAC NAME: (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
SYSTEMATIC NAME: (1R)-1-[[(3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
MOLECULAR FORMULA: C28H38N2O4
MOLECULAR WEIGHT: 466.61232
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
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Product OPENEYE NAME: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CAS Name: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
IUPAC NAME: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
SYSTEMATIC NAME: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
MOLECULAR FORMULA: C29H40N2O4
MOLECULAR WEIGHT: 480.6389
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
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Product OPENEYE NAME: 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
CAS Name: 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
IUPAC NAME: 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
SYSTEMATIC NAME: 3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC
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Product OPENEYE NAME: 4-hydroxy-3-methyl-naphthalene-1,2-dione
CAS Name: 4-hydroxy-3-methylnaphthalene-1,2-dione
IUPAC NAME: 4-hydroxy-3-methylnaphthalene-1,2-dione
SYSTEMATIC NAME: 3-methyl-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C11H8O3
MOLECULAR WEIGHT: 188.17942
SMILES: CC1=C(C2=CC=CC=C2C(=O)C1=O)O
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Product OPENEYE NAME: 7-isopropyl-1-methyl-phenanthrene
CAS Name: 1-methyl-7-propan-2-ylphenanthrene
IUPAC NAME: 1-methyl-7-propan-2-ylphenanthrene
SYSTEMATIC NAME: 1-methyl-7-propan-2-yl-phenanthrene
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: CC1=CC=CC2=C1C=CC3=C2C=CC(=C3)C(C)C
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Product OPENEYE NAME: 1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Name: 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
IUPAC NAME: 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
SYSTEMATIC NAME: 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CC2C(CCC(=C2CC1)C)C(C)C
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