Product OPENEYE NAME: isobutyl 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 4-hydroxybenzoate
SYSTEMATIC NAME: 2-methylpropyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 2-[3-(oxiran-2-yl)propyl]oxirane
CAS Name: 2-[3-(2-oxiranyl)propyl]oxirane
IUPAC NAME: 2-[3-(oxiran-2-yl)propyl]oxirane
SYSTEMATIC NAME: 2-[3-(oxiran-2-yl)propyl]oxirane
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: C1C(O1)CCCC2CO2
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Product OPENEYE NAME: [(17S)-1,3-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(17S)-1,3-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: CC(=O)O[C@H]1CCC2C1(CCC3C2CCC4=CC(=CC(=C34)OC(=O)C)OC(=O)C)C
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Product OPENEYE NAME: (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
CAS Name: (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
IUPAC NAME: (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
SYSTEMATIC NAME: (2S,8R,9S,10R,13S,14S,17S)-4,4,10,13,17-pentamethyl-17-oxidanyl-3-oxidanylidene-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
MOLECULAR FORMULA: C23H33NO2
MOLECULAR WEIGHT: 355.51362
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC=C4[C@@]3(C[C@H](C(=O)C4(C)C)C#N)C
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Product OPENEYE NAME: 9-methylsulfonyloxynonyl methanesulfonate
CAS Name: methanesulfonic acid 9-methylsulfonyloxynonyl ester
IUPAC NAME: 9-methylsulfonyloxynonyl methanesulfonate
SYSTEMATIC NAME: 9-methylsulfonyloxynonyl methanesulfonate
MOLECULAR FORMULA: C11H24O6S2
MOLECULAR WEIGHT: 316.43466
SMILES: CS(=O)(=O)OCCCCCCCCCOS(=O)(=O)C
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Product OPENEYE NAME: nonacosanoic acid
CAS Name: nonacosanoic acid
IUPAC NAME: nonacosanoic acid
SYSTEMATIC NAME: nonacosanoic acid
MOLECULAR FORMULA: C29H58O2
MOLECULAR WEIGHT: 438.76962
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
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Product OPENEYE NAME: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
CAS Name: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 3-[3-[bis(2-chloroethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H17Cl2NO2
MOLECULAR WEIGHT: 290.18558
SMILES: C1=CC(=CC(=C1)N(CCCl)CCCl)CCC(=O)O
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Product OPENEYE NAME: methyl 4-[4-(benzyloxycarbonylamino)phenyl]butanoate
CAS Name: 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate
SYSTEMATIC NAME: methyl 4-[4-(phenylmethoxycarbonylamino)phenyl]butanoate
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: COC(=O)CCCC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-benzamido-3-[4-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C20H22ClFN2O3
MOLECULAR WEIGHT: 392.851683
SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N(CCF)CCCl)C(=O)O
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Product OPENEYE NAME: 2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[4-[bis(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H18F2N2O2
MOLECULAR WEIGHT: 272.291026
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCF)CCF
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