Product OPENEYE NAME: 4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol
CAS Name: 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC NAME: 8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
SYSTEMATIC NAME: 6,7-bis(hydroxymethyl)-3-methoxy-8-(3-methoxy-4-oxidanyl-phenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
MOLECULAR FORMULA: C20H24O6
MOLECULAR WEIGHT: 360.40096
SMILES: COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
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Product OPENEYE NAME: (1-cyano-3-methyl-butyl) 4-bromobenzoate
CAS Name: 4-bromobenzoic acid (1-cyano-3-methylbutyl) ester
IUPAC NAME: (1-cyano-3-methylbutyl) 4-bromobenzoate
SYSTEMATIC NAME: (1-cyano-3-methyl-butyl) 4-bromanylbenzoate
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: CC(C)CC(C#N)OC(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: 1-(3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
CAS Name: 1-(3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
IUPAC NAME: 1-(3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
SYSTEMATIC NAME: 1-(3-chloranyl-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
MOLECULAR FORMULA: C19H21ClN2S
MOLECULAR WEIGHT: 344.90144
SMILES: CC1=CC=CC2=C1SC3=C(CC2N4CCNCC4)C=C(C=C3)Cl
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Product OPENEYE NAME: 5',5',6,6-tetramethyl-3-(2-thienyl)spiro[5,7-dihydro-3H-benzofuran-2,2'-cyclohexane]-1',3',4-trione
CAS Name: 5',5',6,6-tetramethyl-3-thiophen-2-ylspiro[5,7-dihydro-3H-benzofuran-2,2'-cyclohexane]-1',3',4-trione
IUPAC NAME: 5',5',6,6-tetramethyl-3-thiophen-2-ylspiro[5,7-dihydro-3H-1-benzofuran-2,2'-cyclohexane]-1',3',4-trione
SYSTEMATIC NAME: 5',5',6,6-tetramethyl-3-thiophen-2-yl-spiro[5,7-dihydro-3H-1-benzofuran-2,2'-cyclohexane]-1',3',4-trione
MOLECULAR FORMULA: C21H24O4S
MOLECULAR WEIGHT: 372.47786
SMILES: CC1(CC2=C(C(C3(O2)C(=O)CC(CC3=O)(C)C)C4=CC=CS4)C(=O)C1)C
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Product OPENEYE NAME: 3-[4-(difluoromethoxy)phenyl]-1-(2-furyl)-3-(2-hydroxyethylsulfanyl)propan-1-one
CAS Name: 3-[4-(difluoromethoxy)phenyl]-1-(2-furanyl)-3-(2-hydroxyethylthio)-1-propanone
IUPAC NAME: 3-[4-(difluoromethoxy)phenyl]-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
SYSTEMATIC NAME: 3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(furan-2-yl)-3-(2-hydroxyethylsulfanyl)propan-1-one
MOLECULAR FORMULA: C16H16F2O4S
MOLECULAR WEIGHT: 342.357646
SMILES: C1=COC(=C1)C(=O)CC(C2=CC=C(C=C2)OC(F)F)SCCO
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Product OPENEYE NAME: 5-benzoyl-6-(3,5-dibromo-2-hydroxy-phenyl)-4-hydroxy-4-(trifluoromethyl)hexahydropyrimidin-2-one
CAS Name: 5-benzoyl-6-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
IUPAC NAME: 5-benzoyl-6-(3,5-dibromo-2-hydroxyphenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
SYSTEMATIC NAME: 6-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-4-oxidanyl-5-(phenylcarbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
MOLECULAR FORMULA: C18H13Br2F3N2O4
MOLECULAR WEIGHT: 538.11003
SMILES: C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC(=CC(=C3O)Br)Br
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Product OPENEYE NAME: O2-(2-methoxyethyl) O4-methyl 3-methyl-5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate
CAS Name: 3-methyl-5-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid O2-(2-methoxyethyl) ester O4-methyl ester
IUPAC NAME: 2-O-(2-methoxyethyl) 4-O-methyl 3-methyl-5-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: O2-(2-methoxyethyl) O4-methyl 3-methyl-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C20H21N5O6S2
MOLECULAR WEIGHT: 491.54064
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCCOC
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Product OPENEYE NAME: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(tetrahydrofuran-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-oxolanylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
IUPAC NAME: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(oxolan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(oxolan-2-ylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H29NO9
MOLECULAR WEIGHT: 511.52046
SMILES: COC1=CC(=CC(=C1OC)OC)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5CCCO5
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Product OPENEYE NAME: [4-[[(4-sulfamoylphenyl)hydrazono]methyl]phenyl] 3-nitrobenzoate
CAS Name: 3-nitrobenzoic acid [4-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
SYSTEMATIC NAME: [4-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
MOLECULAR FORMULA: C20H16N4O6S
MOLECULAR WEIGHT: 440.42924
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=NNC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: dimorpholino-(4-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
CAS Name: bis(4-morpholinyl)-(4-nitrophenyl)imino-(2-propyl-3-indazolyl)phosphorane
IUPAC NAME: dimorpholin-4-yl-(4-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
SYSTEMATIC NAME: dimorpholin-4-yl-(4-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
MOLECULAR FORMULA: C24H31N6O4P
MOLECULAR WEIGHT: 498.514501
SMILES: CCCN1C(=C2C=CC=CC2=N1)P(=NC3=CC=C(C=C3)[N+](=O)[O-])(N4CCOCC4)N5CCOCC5
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Product OPENEYE NAME: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-3-formyl-2,2-dimethyl-thiazolidine-4-carboxamide
CAS Name: N-[4-(4-bromophenyl)-5-methyl-2-thiazolyl]-3-formyl-2,2-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methanoyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C17H18BrN3O2S2
MOLECULAR WEIGHT: 440.37772
SMILES: CC1=C(N=C(S1)NC(=O)C2CSC(N2C=O)(C)C)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-furylmethyl)-2-[3-morpholinopropyl(octylsulfonyl)amino]acetamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-(2-furanylmethyl)-2-[3-(4-morpholinyl)propyl-octylsulfonylamino]acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl(octylsulfonyl)amino]acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl(octylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C30H45N3O7S
MOLECULAR WEIGHT: 591.7592
SMILES: CCCCCCCCS(=O)(=O)N(CCCN1CCOCC1)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4
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Product OPENEYE NAME: 2-[(4-acetamidophenyl)sulfonyl-(3-morpholinopropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-furylmethyl)acetamide
CAS Name: 2-[(4-acetamidophenyl)sulfonyl-[3-(4-morpholinyl)propyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[(4-acetamidophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[(4-acetamidophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C30H36N4O8S
MOLECULAR WEIGHT: 612.69384
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCN2CCOCC2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC=CO5
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Product OPENEYE NAME: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-2-phenyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-8-(4-fluorophenyl)-2-phenyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C36H29Cl2FN2O7
MOLECULAR WEIGHT: 691.529063
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=CC=C7
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Product OPENEYE NAME: 6a,9a-dichloro-2-(4-ethylphenyl)-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-2-(4-ethylphenyl)-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-2-(4-ethylphenyl)-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-2-(4-ethylphenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C38H33Cl2FN2O7
MOLECULAR WEIGHT: 719.582223
SMILES: CCC1=CC=C(C=C1)N2C(=O)C3CC=C4C(C3C2=O)CC5(C(=O)N(C(=O)C5(C4C=CC6=CC(=C(C(=C6)OC)O)OC)Cl)C7=CC=C(C=C7)F)Cl
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Product OPENEYE NAME: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-2-(4-vinylphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-2-(4-ethenylphenyl)-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-2-(4-ethenylphenyl)-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-2-(4-ethenylphenyl)-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C38H31Cl2FN2O7
MOLECULAR WEIGHT: 717.566343
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C=C
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Product OPENEYE NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-6a,9a-bis(chloranyl)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C38H27Cl2F7N2O7
MOLECULAR WEIGHT: 827.525002
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: methyl 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-2-carboxylate
CAS Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-2-carboxylic acid methyl ester
IUPAC NAME: methyl 6a,9a-dichloro-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-2-carboxylate
SYSTEMATIC NAME: methyl 6a,9a-bis(chloranyl)-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-8-(4-fluorophenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-2-carboxylate
MOLECULAR FORMULA: C32H27Cl2FN2O9
MOLECULAR WEIGHT: 673.469183
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C(=O)OC
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Product OPENEYE NAME: 6a,9a-dichloro-2-cyclohexyl-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-2-cyclohexyl-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6a,9a-dichloro-2-cyclohexyl-8-(4-fluorophenyl)-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-2-cyclohexyl-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-8-(4-fluorophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C36H35Cl2FN2O7
MOLECULAR WEIGHT: 697.576703
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7CCCCC7
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