Product OPENEYE NAME: ethyl 2-amino-3-heptylsulfanyl-propanoate
CAS Name: 2-amino-3-(heptylthio)propanoic acid ethyl ester
IUPAC NAME: ethyl 2-amino-3-heptylsulfanylpropanoate
SYSTEMATIC NAME: ethyl 2-azanyl-3-heptylsulfanyl-propanoate
MOLECULAR FORMULA: C12H25NO2S
MOLECULAR WEIGHT: 247.3974
SMILES: CCCCCCCSCC(C(=O)OCC)N
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Product OPENEYE NAME: ethyl 2-[(2-tert-butoxy-1-methyl-2-oxo-ethyl)amino]-3-heptylsulfanyl-propanoate
CAS Name: 3-(heptylthio)-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-heptylsulfanyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
SYSTEMATIC NAME: ethyl 3-heptylsulfanyl-2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]amino]propanoate
MOLECULAR FORMULA: C19H37NO4S
MOLECULAR WEIGHT: 375.56638
SMILES: CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 2-[[2-ethoxy-1-(heptylsulfanylmethyl)-2-oxo-ethyl]amino]propanoic acid
CAS Name: 2-[[1-ethoxy-3-(heptylthio)-1-oxopropan-2-yl]amino]propanoic acid
IUPAC NAME: 2-[(1-ethoxy-3-heptylsulfanyl-1-oxopropan-2-yl)amino]propanoic acid
SYSTEMATIC NAME: 2-[(1-ethoxy-3-heptylsulfanyl-1-oxidanylidene-propan-2-yl)amino]propanoic acid
MOLECULAR FORMULA: C15H29NO4S
MOLECULAR WEIGHT: 319.46006
SMILES: CCCCCCCSCC(C(=O)OCC)NC(C)C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H36O14
MOLECULAR WEIGHT: 728.69474
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]3[C@H]([C@H](O[C@H]2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)OC)O
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Product OPENEYE NAME: 2-(3-fluoro-4-phenyl-phenyl)-2-hydroxy-acetic acid
CAS Name: 2-(3-fluoro-4-phenylphenyl)-2-hydroxyacetic acid
IUPAC NAME: 2-(3-fluoro-4-phenylphenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(3-fluoranyl-4-phenyl-phenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C14H11FO3
MOLECULAR WEIGHT: 246.233743
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)C(C(=O)O)O)F
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Product OPENEYE NAME: cyclohexyl 2-[2-furylmethyl(imidazole-1-carbonyl)amino]pentanoate
CAS Name: 2-[2-furanylmethyl-[1-imidazolyl(oxo)methyl]amino]pentanoic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 2-[furan-2-ylmethyl(imidazole-1-carbonyl)amino]pentanoate
SYSTEMATIC NAME: cyclohexyl 2-[furan-2-ylmethyl(imidazol-1-ylcarbonyl)amino]pentanoate
MOLECULAR FORMULA: C20H27N3O4
MOLECULAR WEIGHT: 373.44608
SMILES: CCCC(C(=O)OC1CCCCC1)N(CC2=CC=CO2)C(=O)N3C=CN=C3
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Product OPENEYE NAME: allyl 2-[2-furylmethyl(imidazole-1-carbonyl)amino]butanoate
CAS Name: 2-[2-furanylmethyl-[1-imidazolyl(oxo)methyl]amino]butanoic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl 2-[furan-2-ylmethyl(imidazole-1-carbonyl)amino]butanoate
SYSTEMATIC NAME: prop-2-enyl 2-[furan-2-ylmethyl(imidazol-1-ylcarbonyl)amino]butanoate
MOLECULAR FORMULA: C16H19N3O4
MOLECULAR WEIGHT: 317.33976
SMILES: CCC(C(=O)OCC=C)N(CC1=CC=CO1)C(=O)N2C=CN=C2
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Product OPENEYE NAME: allyl 2-[imidazole-1-carbonyl(2-thienylmethyl)amino]pentanoate
CAS Name: 2-[[1-imidazolyl(oxo)methyl]-(thiophen-2-ylmethyl)amino]pentanoic acid prop-2-enyl ester
IUPAC NAME: prop-2-enyl 2-[imidazole-1-carbonyl(thiophen-2-ylmethyl)amino]pentanoate
SYSTEMATIC NAME: prop-2-enyl 2-[imidazol-1-ylcarbonyl(thiophen-2-ylmethyl)amino]pentanoate
MOLECULAR FORMULA: C17H21N3O3S
MOLECULAR WEIGHT: 347.43194
SMILES: CCCC(C(=O)OCC=C)N(CC1=CC=CS1)C(=O)N2C=CN=C2
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Product OPENEYE NAME: 11,11-dimethyl-7-methylene-spiro[5.5]undec-3-ene-3-carboxylic acid
CAS Name: 11,11-dimethyl-7-methylene-3-spiro[5.5]undec-3-enecarboxylic acid
IUPAC NAME: 11,11-dimethyl-7-methylidenespiro[5.5]undec-3-ene-3-carboxylic acid
SYSTEMATIC NAME: 11,11-dimethyl-7-methylidene-spiro[5.5]undec-3-ene-3-carboxylic acid
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC1(CCCC(=C)C12CCC(=CC2)C(=O)O)C
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Product OPENEYE NAME: (4-cyclohexylpyrrolidin-2-yl)methanol
CAS Name: (4-cyclohexyl-2-pyrrolidinyl)methanol
IUPAC NAME: (4-cyclohexylpyrrolidin-2-yl)methanol
SYSTEMATIC NAME: (4-cyclohexylpyrrolidin-2-yl)methanol
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: C1CCC(CC1)C2CC(NC2)CO
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Product OPENEYE NAME: [(2S,4S)-4-cyclohexylpyrrolidin-2-yl]methanol
CAS Name: [(2S,4S)-4-cyclohexyl-2-pyrrolidinyl]methanol
IUPAC NAME: [(2S,4S)-4-cyclohexylpyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2S,4S)-4-cyclohexylpyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: C1CCC(CC1)[C@@H]2C[C@H](NC2)CO
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Product OPENEYE NAME: benzyl 4-cyclohexyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: 4-cyclohexyl-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-cyclohexyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-cyclohexyl-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C19H27NO3
MOLECULAR WEIGHT: 317.42258
SMILES: C1CCC(CC1)C2CC(N(C2)C(=O)OCC3=CC=CC=C3)CO
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Product OPENEYE NAME: 3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
CAS Name: 3-cyclohexyl-5-(hydroxymethyl)-2-pyrrolidinone
IUPAC NAME: 3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 3-cyclohexyl-5-(hydroxymethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: C1CCC(CC1)C2CC(NC2=O)CO
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Product OPENEYE NAME: bis[6-(trifluoromethyl)benzotriazol-1-yl] oxalate
CAS Name: oxalic acid bis[6-(trifluoromethyl)-1-benzotriazolyl] ester
IUPAC NAME: bis[6-(trifluoromethyl)benzotriazol-1-yl] oxalate
SYSTEMATIC NAME: bis[6-(trifluoromethyl)benzotriazol-1-yl] ethanedioate
MOLECULAR FORMULA: C16H6F6N6O4
MOLECULAR WEIGHT: 460.247059
SMILES: C1=CC2=C(C=C1C(F)(F)F)N(N=N2)OC(=O)C(=O)ON3C4=C(C=CC(=C4)C(F)(F)F)N=N3
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Product OPENEYE NAME: (2-hydroxy-3-nonadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate
CAS Name: [2-hydroxy-3-(1-oxononadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC NAME: (2-hydroxy-3-nonadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: (3-nonadecanoyloxy-2-oxidanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C27H56NO7P
MOLECULAR WEIGHT: 537.709801
SMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
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