Product OPENEYE NAME: 4-[(E)-3-oxobut-1-enyl]azetidin-2-one
CAS Name: 4-[(E)-3-oxobut-1-enyl]-2-azetidinone
IUPAC NAME: 4-[(E)-3-oxobut-1-enyl]azetidin-2-one
SYSTEMATIC NAME: 4-[(E)-3-oxidanylidenebut-1-enyl]azetidin-2-one
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CC(=O)/C=C/C1CC(=O)N1
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Product OPENEYE NAME: 5-methylsulfanyl-11H-imidazo[1,2-c][1,3]benzodiazepine hydrochloride
CAS Name: 5-(methylthio)-11H-imidazo[1,2-c][1,3]benzodiazepine hydrochloride
IUPAC NAME: 5-methylsulfanyl-11H-imidazo[1,2-c][1,3]benzodiazepine hydrochloride
SYSTEMATIC NAME: 5-methylsulfanyl-11H-imidazo[1,2-c][1,3]benzodiazepine hydrochloride
MOLECULAR FORMULA: C12H12ClN3S
MOLECULAR WEIGHT: 265.76178
SMILES: CSC1=NC2=CC=CC=C2CC3=NC=CN31.Cl
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Product OPENEYE NAME: 5-piperazin-1-yl-11H-imidazo[1,2-c][1,3]benzodiazepine dihydrochloride
CAS Name: 5-(1-piperazinyl)-11H-imidazo[1,2-c][1,3]benzodiazepine dihydrochloride
IUPAC NAME: 5-piperazin-1-yl-11H-imidazo[1,2-c][1,3]benzodiazepine dihydrochloride
SYSTEMATIC NAME: 5-piperazin-1-yl-11H-imidazo[1,2-c][1,3]benzodiazepine dihydrochloride
MOLECULAR FORMULA: C15H19Cl2N5
MOLECULAR WEIGHT: 340.25086
SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3CC4=NC=CN42.Cl.Cl
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Product OPENEYE NAME: 1-(4,4-dimethyl-5H-oxazol-2-yl)-3-hydroxy-10,13-dimethyl-17-sec-butyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
CAS Name: 17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
IUPAC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C28H45NO3
MOLECULAR WEIGHT: 443.6618
SMILES: CCC(C)C1CCC2C1(CCC3C2C(=O)CC4C3(C(CC(C4)O)C5=NC(CO5)(C)C)C)C
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Product OPENEYE NAME: 1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-17-sec-butyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS Name: 17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
IUPAC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SYSTEMATIC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
MOLECULAR FORMULA: C28H47NO3
MOLECULAR WEIGHT: 445.67768
SMILES: CCC(C)C1CCC2C1(CCC3C2C(CC4C3(C(CC(C4)O)C5=NC(CO5)(C)C)C)O)C
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Product OPENEYE NAME: [17-(4-chloro-1-methyl-4-oxo-butyl)-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [17-(5-chloro-5-oxopentan-2-yl)-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-(5-chloro-5-oxopentan-2-yl)-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-(5-chloranyl-5-oxidanylidene-pentan-2-yl)-7-methanoyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C26H39ClO5
MOLECULAR WEIGHT: 467.03786
SMILES: CC(CCC(=O)Cl)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC=O)C)OC=O)C
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Product OPENEYE NAME: [1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-7-oxo-17-sec-butyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C29H45NO4
MOLECULAR WEIGHT: 471.6719
SMILES: CCC(C)C1CCC2C1(CCC3C2C(=O)CC4C3(C(CC(C4)OC=O)C5=NC(CO5)(C)C)C)C
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Product OPENEYE NAME: [1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-17-sec-butyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C29H47NO3
MOLECULAR WEIGHT: 457.68838
SMILES: CCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CC(C4)OC=O)C5=NC(CO5)(C)C)C)C
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Product OPENEYE NAME: [17-(4-chloro-1-methyl-4-oxo-butyl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [17-(5-chloro-5-oxopentan-2-yl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-(5-chloro-5-oxopentan-2-yl)-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-(5-chloranyl-5-oxidanylidene-pentan-2-yl)-10,13-dimethyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C25H37ClO4
MOLECULAR WEIGHT: 437.01188
SMILES: CC(CCC(=O)Cl)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)OC=O)C)C
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Product OPENEYE NAME: 1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-17-sec-butyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: 17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H47NO2
MOLECULAR WEIGHT: 429.67828
SMILES: CCC(C)C1CCC2C1(CCC3C2CCC4C3(C(CC(C4)O)C5=NC(CO5)(C)C)C)C
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Product OPENEYE NAME: 4-(3-formyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
CAS Name: 4-(3-formyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
IUPAC NAME: 4-(3-formyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
SYSTEMATIC NAME: 4-(3-methanoyloxy-10,13-dimethyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
MOLECULAR FORMULA: C25H38O5
MOLECULAR WEIGHT: 418.56622
SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)OC=O)C)C
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Product OPENEYE NAME: [1-(4,4-dimethyl-5H-oxazol-2-yl)-7-formyloxy-10,13-dimethyl-17-sec-butyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [17-butan-2-yl-1-(4,4-dimethyl-5H-oxazol-2-yl)-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-7-formyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [17-butan-2-yl-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-7-methanoyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C30H47NO5
MOLECULAR WEIGHT: 501.69788
SMILES: CCC(C)C1CCC2C1(CCC3C2C(CC4C3(C(CC(C4)OC=O)C5=NC(CO5)(C)C)C)OC=O)C
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Product OPENEYE NAME: [3-(4,4-dimethylisoxazolidin-2-yl)-3-formyloxy-10,13-dimethyl-17-sec-butyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] formate
CAS Name: formic acid [17-butan-2-yl-3-(4,4-dimethyl-2-isoxazolidinyl)-3-formyloxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] ester
IUPAC NAME: [17-butan-2-yl-3-(4,4-dimethyl-1,2-oxazolidin-2-yl)-3-formyloxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] formate
SYSTEMATIC NAME: [17-butan-2-yl-3-(4,4-dimethyl-1,2-oxazolidin-2-yl)-3-methanoyloxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] methanoate
MOLECULAR FORMULA: C30H49NO5
MOLECULAR WEIGHT: 503.71376
SMILES: CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)(N5CC(CO5)(C)C)OC=O)C)OC=O)C
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Product OPENEYE NAME: 3-octyltridecanoic acid
CAS Name: 3-octyltridecanoic acid
IUPAC NAME: 3-octyltridecanoic acid
SYSTEMATIC NAME: 3-octyltridecanoic acid
MOLECULAR FORMULA: C21H42O2
MOLECULAR WEIGHT: 326.55698
SMILES: CCCCCCCCCCC(CCCCCCCC)CC(=O)O
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Product OPENEYE NAME: 3-hexylundecanoic acid
CAS Name: 3-hexylundecanoic acid
IUPAC NAME: 3-hexylundecanoic acid
SYSTEMATIC NAME: 3-hexylundecanoic acid
MOLECULAR FORMULA: C17H34O2
MOLECULAR WEIGHT: 270.45066
SMILES: CCCCCCCCC(CCCCCC)CC(=O)O
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Product OPENEYE NAME: 10-methylicosanoic acid
CAS Name: 10-methyleicosanoic acid
IUPAC NAME: 10-methylicosanoic acid
SYSTEMATIC NAME: 10-methylicosanoic acid
MOLECULAR FORMULA: C21H42O2
MOLECULAR WEIGHT: 326.55698
SMILES: CCCCCCCCCCC(C)CCCCCCCCC(=O)O
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Product OPENEYE NAME: fluorosulfonylformic acid
CAS Name: fluorosulfonylformic acid
IUPAC NAME: fluorosulfonylformic acid
SYSTEMATIC NAME: fluorosulfonylmethanoic acid
MOLECULAR FORMULA: CHFO4S
MOLECULAR WEIGHT: 128.079643
SMILES: C(=O)(O)S(=O)(=O)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H6N2O
MOLECULAR WEIGHT: 50.06044
SMILES: [NH4+].N[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: H4MgN2O2
MOLECULAR WEIGHT: 88.34896
SMILES: N[O-].N[O-].[Mg+2]
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Product OPENEYE NAME: N-(1,1-dimethylpropyl)-2-methyl-N-oxido-butan-2-amine
CAS Name: 2-methyl-N-(2-methylbutan-2-yl)-N-oxido-2-butanamine
IUPAC NAME: 2-methyl-N-(2-methylbutan-2-yl)-N-oxidobutan-2-amine
SYSTEMATIC NAME: 2-methyl-N-(2-methylbutan-2-yl)-N-oxidanidyl-butan-2-amine
MOLECULAR FORMULA: C10H22NO-
MOLECULAR WEIGHT: 172.28778
SMILES: CCC(C)(C)N(C(C)(C)CC)[O-]
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Product OPENEYE NAME: (E)-7-bromo-7-methyl-oct-3-ene
CAS Name: (E)-7-bromo-7-methyl-3-octene
IUPAC NAME: (E)-7-bromo-7-methyloct-3-ene
SYSTEMATIC NAME: (E)-7-bromanyl-7-methyl-oct-3-ene
MOLECULAR FORMULA: C9H17Br
MOLECULAR WEIGHT: 205.13528
SMILES: CC/C=C/CCC(C)(C)Br
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Product OPENEYE NAME: (4-bromo-4-methyl-pentyl)benzene
CAS Name: (4-bromo-4-methylpentyl)benzene
IUPAC NAME: (4-bromo-4-methylpentyl)benzene
SYSTEMATIC NAME: (4-bromanyl-4-methyl-pentyl)benzene
MOLECULAR FORMULA: C12H17Br
MOLECULAR WEIGHT: 241.16738
SMILES: CC(C)(CCCC1=CC=CC=C1)Br
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