Product OPENEYE NAME: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-yl-butoxy]benzoate hydrochloride
CAS Name: 4-[4-(4-chlorophenyl)-2-hydroxy-4-(1-piperazinyl)butoxy]benzoic acid ethyl ester hydrochloride
IUPAC NAME: ethyl 4-[4-(4-chlorophenyl)-2-hydroxy-4-piperazin-1-ylbutoxy]benzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-[4-(4-chlorophenyl)-2-oxidanyl-4-piperazin-1-yl-butoxy]benzoate hydrochloride
MOLECULAR FORMULA: C23H30Cl2N2O4
MOLECULAR WEIGHT: 469.4013
SMILES: CCOC(=O)C1=CC=C(C=C1)OCC(CC(C2=CC=C(C=C2)Cl)N3CCNCC3)O.Cl
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Product OPENEYE NAME: 4-(4-bromophenyl)-1-phenoxy-4-piperazin-1-yl-butan-2-ol
CAS Name: 4-(4-bromophenyl)-1-phenoxy-4-(1-piperazinyl)-2-butanol
IUPAC NAME: 4-(4-bromophenyl)-1-phenoxy-4-piperazin-1-ylbutan-2-ol
SYSTEMATIC NAME: 4-(4-bromophenyl)-1-phenoxy-4-piperazin-1-yl-butan-2-ol
MOLECULAR FORMULA: C20H25BrN2O2
MOLECULAR WEIGHT: 405.3287
SMILES: C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoyl-thiophene-2-carboxylic acid
CAS Name: 5-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-4-propylsulfinyl-3-sulfamoyl-2-thiophenecarboxylic acid
IUPAC NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C15H18N4O8S3
MOLECULAR WEIGHT: 478.52042
SMILES: CCCS(=O)C1=C(SC(=C1S(=O)(=O)N)C(=O)O)C(=O)NC2=NC(=CC(=N2)OC)OC
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Product OPENEYE NAME: 5-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoyl-thiophene-2-carboxylic acid
CAS Name: 5-[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]-4-propylsulfinyl-3-sulfamoyl-2-thiophenecarboxylic acid
IUPAC NAME: 5-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoyl]-4-propylsulfinyl-3-sulfamoyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C15H18N4O7S3
MOLECULAR WEIGHT: 462.52102
SMILES: CCCS(=O)C1=C(SC(=C1S(=O)(=O)N)C(=O)O)C(=O)NC2=NC(=CC(=N2)OC)C
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Product OPENEYE NAME: 4-propylsulfinylthiophene-2-carboxylic acid
CAS Name: 4-propylsulfinyl-2-thiophenecarboxylic acid
IUPAC NAME: 4-propylsulfinylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 4-propylsulfinylthiophene-2-carboxylic acid
MOLECULAR FORMULA: C8H10O3S2
MOLECULAR WEIGHT: 218.2932
SMILES: CCCS(=O)C1=CSC(=C1)C(=O)O
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Product OPENEYE NAME: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine
CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purine
IUPAC NAME: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
SYSTEMATIC NAME: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine
MOLECULAR FORMULA: C18H14N14O4S2
MOLECULAR WEIGHT: 554.52516
SMILES: CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-].CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
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Product OPENEYE NAME: chloro-oxo-(p-tolyl)phosphonium
CAS Name: chloro-(4-methylphenyl)-oxophosphonium
IUPAC NAME: chloro-(4-methylphenyl)-oxophosphanium
SYSTEMATIC NAME: chloranyl-(4-methylphenyl)-oxidanylidene-phosphanium
MOLECULAR FORMULA: C7H7ClOP+
MOLECULAR WEIGHT: 173.556641
SMILES: CC1=CC=C(C=C1)[P+](=O)Cl
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Product OPENEYE NAME: (5,5-dimethyl-6-phenyl-cyclohexa-1,3-dien-1-yl)-diphenyl-phosphane
CAS Name: (5,5-dimethyl-6-phenyl-1-cyclohexa-1,3-dienyl)-diphenylphosphine
IUPAC NAME: (5,5-dimethyl-6-phenylcyclohexa-1,3-dien-1-yl)-diphenylphosphane
SYSTEMATIC NAME: (5,5-dimethyl-6-phenyl-cyclohexa-1,3-dien-1-yl)-diphenyl-phosphane
MOLECULAR FORMULA: C26H25P
MOLECULAR WEIGHT: 368.450461
SMILES: CC1(C=CC=C(C1C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C
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Product OPENEYE NAME: 5,5-dimethyl-6-phenyl-cyclohex-3-ene-1,1-diamine
CAS Name: 5,5-dimethyl-6-phenylcyclohex-3-ene-1,1-diamine
IUPAC NAME: 5,5-dimethyl-6-phenylcyclohex-3-ene-1,1-diamine
SYSTEMATIC NAME: 5,5-dimethyl-6-phenyl-cyclohex-3-ene-1,1-diamine
MOLECULAR FORMULA: C14H20N2
MOLECULAR WEIGHT: 216.322
SMILES: CC1(C=CCC(C1C2=CC=CC=C2)(N)N)C
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Product OPENEYE NAME: ethylbenzene; 4-phenylbenzene-1,2,3-triol
CAS Name: ethylbenzene; 4-phenylbenzene-1,2,3-triol
IUPAC NAME: ethylbenzene; 4-phenylbenzene-1,2,3-triol
SYSTEMATIC NAME: ethylbenzene; 4-phenylbenzene-1,2,3-triol
MOLECULAR FORMULA: C20H20O3
MOLECULAR WEIGHT: 308.371
SMILES: CCC1=CC=CC=C1.C1=CC=C(C=C1)C2=C(C(=C(C=C2)O)O)O
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Product OPENEYE NAME: 2-[4-(5H-isoxazol-2-yl)phenyl]-5H-isoxazole
CAS Name: 2-[4-(5H-isoxazol-2-yl)phenyl]-5H-isoxazole
IUPAC NAME: 2-[4-(5H-1,2-oxazol-2-yl)phenyl]-5H-1,2-oxazole
SYSTEMATIC NAME: 2-[4-(5H-1,2-oxazol-2-yl)phenyl]-5H-1,2-oxazole
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1C=CN(O1)C2=CC=C(C=C2)N3C=CCO3
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Product OPENEYE NAME: 2-ethyl-5-sulfo-anthracene-1-carboxylic acid
CAS Name: 2-ethyl-5-sulfo-1-anthracenecarboxylic acid
IUPAC NAME: 2-ethyl-5-sulfoanthracene-1-carboxylic acid
SYSTEMATIC NAME: 2-ethyl-5-sulfo-anthracene-1-carboxylic acid
MOLECULAR FORMULA: C17H14O5S
MOLECULAR WEIGHT: 330.35506
SMILES: CCC1=C(C2=C(C=C1)C=C3C(=C2)C=CC=C3S(=O)(=O)O)C(=O)O
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Product OPENEYE NAME: 5-benzyloxy-7-(ethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one
CAS Name: 7-(ethylamino)-5-phenylmethoxy-1-spiro[isobenzofuran-3,9'-xanthene]one
IUPAC NAME: 7-(ethylamino)-5-phenylmethoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 7-(ethylamino)-5-phenylmethoxy-spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C29H23NO4
MOLECULAR WEIGHT: 449.49722
SMILES: CCNC1=C2C(=CC(=C1)OCC3=CC=CC=C3)C4(C5=CC=CC=C5OC6=CC=CC=C64)OC2=O
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Product OPENEYE NAME: 2-[(Z)-1,2-dihydroxytetradec-2-enyl]-4,5-dihydroxy-furan-3-one
CAS Name: 2-[(Z)-1,2-dihydroxytetradec-2-enyl]-4,5-dihydroxy-3-furanone
IUPAC NAME: 2-[(Z)-1,2-dihydroxytetradec-2-enyl]-4,5-dihydroxyfuran-3-one
SYSTEMATIC NAME: 2-[(Z)-1,2-bis(oxidanyl)tetradec-2-enyl]-4,5-bis(oxidanyl)furan-3-one
MOLECULAR FORMULA: C18H30O6
MOLECULAR WEIGHT: 342.4272
SMILES: CCCCCCCCCCC/C=C(/C(C1C(=O)C(=C(O1)O)O)O)\O
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Product OPENEYE NAME: [dichloro(propyl)silyl]oxysilicon
CAS Name: [dichloro(propyl)silyl]oxysilicon
IUPAC NAME: [dichloro(propyl)silyl]oxysilicon
SYSTEMATIC NAME: [bis(chloranyl)-propyl-silyl]oxysilicon
MOLECULAR FORMULA: C3H7Cl2OSi2
MOLECULAR WEIGHT: 186.16408
SMILES: CCC[Si](O[Si])(Cl)Cl
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Product OPENEYE NAME: 2,2-diamino-1-phenyl-heptan-1-one
CAS Name: 2,2-diamino-1-phenyl-1-heptanone
IUPAC NAME: 2,2-diamino-1-phenylheptan-1-one
SYSTEMATIC NAME: 2,2-bis(azanyl)-1-phenyl-heptan-1-one
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CCCCCC(C(=O)C1=CC=CC=C1)(N)N
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Product OPENEYE NAME: sodium 2-amino-3-[4-(4-hydroxyphenoxy)-3,5,5-triiodo-cyclohexa-1,3-dien-1-yl]propanoic acid
CAS Name: sodium 2-amino-3-[4-(4-hydroxyphenoxy)-3,5,5-triiodo-1-cyclohexa-1,3-dienyl]propanoic acid
IUPAC NAME: sodium 2-amino-3-[4-(4-hydroxyphenoxy)-3,5,5-triiodocyclohexa-1,3-dien-1-yl]propanoic acid
SYSTEMATIC NAME: sodium 2-azanyl-3-[3,5,5-tris(iodanyl)-4-(4-oxidanylphenoxy)cyclohexa-1,3-dien-1-yl]propanoic acid
MOLECULAR FORMULA: C15H14I3NNaO4+
MOLECULAR WEIGHT: 675.97914
SMILES: C1C(=CC(=C(C1(I)I)OC2=CC=C(C=C2)O)I)CC(C(=O)O)N.[Na+]
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Product OPENEYE NAME: 2-[[2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-
CAS Name: 2-[[2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1-
IUPAC NAME: 2-[[2-[[2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hyd
SYSTEMATIC NAME: 2-[[2-[[2-[[4-azanyl-2-[[2-[[5-azanyl-2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]hexano
MOLECULAR FORMULA: C62H113N21O24S
MOLECULAR WEIGHT: 1568.75192
SMILES: CC(C)CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)O)N
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Product OPENEYE NAME: 5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amin
CAS Name: 5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]a
IUPAC NAME: 5-amino-2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hex
SYSTEMATIC NAME: 5-azanyl-2-[[2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]hex
MOLECULAR FORMULA: C46H82N14O19
MOLECULAR WEIGHT: 1135.22568
SMILES: CC(C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C1CCCN1C(=O)C(C)N)O
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Product OPENEYE NAME: 2,6-dimethyl-4-(2-methylbutyl)phenol
CAS Name: 2,6-dimethyl-4-(2-methylbutyl)phenol
IUPAC NAME: 2,6-dimethyl-4-(2-methylbutyl)phenol
SYSTEMATIC NAME: 2,6-dimethyl-4-(2-methylbutyl)phenol
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: CCC(C)CC1=CC(=C(C(=C1)C)O)C
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Product OPENEYE NAME: (2E,4E)-N-isobutyl-12-[(3,4,5-trifluoro-6-methyl-2-pyridyl)oxy]dodeca-2,4-dienamide
CAS Name: (2E,4E)-N-(2-methylpropyl)-12-[(3,4,5-trifluoro-6-methyl-2-pyridinyl)oxy]dodeca-2,4-dienamide
IUPAC NAME: (2E,4E)-N-(2-methylpropyl)-12-(3,4,5-trifluoro-6-methylpyridin-2-yl)oxydodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(2-methylpropyl)-12-[3,4,5-tris(fluoranyl)-6-methyl-pyridin-2-yl]oxy-dodeca-2,4-dienamide
MOLECULAR FORMULA: C22H31F3N2O2
MOLECULAR WEIGHT: 412.48895
SMILES: CC1=NC(=C(C(=C1F)F)F)OCCCCCCC/C=C/C=C/C(=O)NCC(C)C
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Product OPENEYE NAME: 1-[(6-chloro-2-pyridyl)methoxy]heptan-1-ol
CAS Name: 1-[(6-chloro-2-pyridinyl)methoxy]-1-heptanol
IUPAC NAME: 1-[(6-chloropyridin-2-yl)methoxy]heptan-1-ol
SYSTEMATIC NAME: 1-[(6-chloranylpyridin-2-yl)methoxy]heptan-1-ol
MOLECULAR FORMULA: C13H20ClNO2
MOLECULAR WEIGHT: 257.7564
SMILES: CCCCCCC(O)OCC1=NC(=CC=C1)Cl
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