Product OPENEYE NAME: 1-(2-hydroxyphenyl)piperidine-2,3-dione
CAS Name: 1-(2-hydroxyphenyl)piperidine-2,3-dione
IUPAC NAME: 1-(2-hydroxyphenyl)piperidine-2,3-dione
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)piperidine-2,3-dione
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1CC(=O)C(=O)N(C1)C2=CC=CC=C2O
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Product OPENEYE NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-methoxyphenyl)-4,4-dimethyl-piperidine-2,6-dione
CAS Name: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
IUPAC NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-methoxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-methoxyphenyl)-4,4-dimethyl-piperidine-2,6-dione
MOLECULAR FORMULA: C20H30N2O3
MOLECULAR WEIGHT: 346.4638
SMILES: CCN(C)CCCC1(C(=O)NC(=O)CC1(C)C)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoate
CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoate
IUPAC NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoate
SYSTEMATIC NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoate
MOLECULAR FORMULA: C14H16NO3-
MOLECULAR WEIGHT: 246.28174
SMILES: CC(C)(CC(=O)[O-])C(C#N)C1=CC(=CC=C1)OC
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Product OPENEYE NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoic acid
CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid
IUPAC NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: CC(C)(CC(=O)O)C(C#N)C1=CC(=CC=C1)OC
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Product OPENEYE NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate; N-methylmethanamine
CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoic acid ethyl ester; N-methylmethanamine
IUPAC NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoate; N-methylmethanamine
SYSTEMATIC NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate; N-methylmethanamine
MOLECULAR FORMULA: C20H32N2O3
MOLECULAR WEIGHT: 348.47968
SMILES: CCC(C#N)(C1=CC(=CC=C1)OC)C(C)(C)CC(=O)OCC.CNC
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Product OPENEYE NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate
CAS Name: 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoic acid ethyl ester
IUPAC NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethylhexanoate
SYSTEMATIC NAME: ethyl 4-cyano-4-(3-methoxyphenyl)-3,3-dimethyl-hexanoate
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CCC(C#N)(C1=CC(=CC=C1)OC)C(C)(C)CC(=O)OCC
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Product OPENEYE NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-hydroxyphenyl)-4,4-dimethyl-piperidine-2,6-dione
CAS Name: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-hydroxyphenyl)-4,4-dimethylpiperidine-2,6-dione
IUPAC NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-hydroxyphenyl)-4,4-dimethylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-[3-[ethyl(methyl)amino]propyl]-3-(3-hydroxyphenyl)-4,4-dimethyl-piperidine-2,6-dione
MOLECULAR FORMULA: C19H28N2O3
MOLECULAR WEIGHT: 332.43722
SMILES: CCN(C)CCCC1(C(=O)NC(=O)CC1(C)C)C2=CC(=CC=C2)O
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Product OPENEYE NAME: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonate
CAS Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonate
IUPAC NAME: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonate
SYSTEMATIC NAME: 4-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]benzenesulfonate
MOLECULAR FORMULA: C10H11N4O3S-
MOLECULAR WEIGHT: 267.28434
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCC2=NNN=N2
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Product OPENEYE NAME: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid
CAS Name: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid
IUPAC NAME: 4-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonic acid
SYSTEMATIC NAME: 4-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]benzenesulfonic acid
MOLECULAR FORMULA: C10H12N4O3S
MOLECULAR WEIGHT: 268.29228
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)CCC2=NNN=N2
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Product OPENEYE NAME: 2-[5-(hydroxymethyl)-2-oxo-oxazolidin-3-yl]benzenesulfonamide
CAS Name: 2-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]benzenesulfonamide
IUPAC NAME: 2-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
SYSTEMATIC NAME: 2-[5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]benzenesulfonamide
MOLECULAR FORMULA: C10H12N2O5S
MOLECULAR WEIGHT: 272.27768
SMILES: C1C(OC(=O)N1C2=CC=CC=C2S(=O)(=O)N)CO
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Product OPENEYE NAME: butylbenzene; 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxo-oxazolidine
CAS Name: butylbenzene; 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxooxazolidine
IUPAC NAME: butylbenzene; 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine
SYSTEMATIC NAME: butylbenzene; 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidine
MOLECULAR FORMULA: C18H30N2O5S
MOLECULAR WEIGHT: 386.5062
SMILES: CCCCC1=CC=CC=C1.CCCCN(N1CC(OC1=O)CO)S(=O)O
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Product OPENEYE NAME: 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxo-oxazolidine
CAS Name: 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxooxazolidine
IUPAC NAME: 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine
SYSTEMATIC NAME: 3-[butyl(sulfino)amino]-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidine
MOLECULAR FORMULA: C8H16N2O5S
MOLECULAR WEIGHT: 252.28804
SMILES: CCCCN(N1CC(OC1=O)CO)S(=O)O
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Product OPENEYE NAME: [3-(4-chlorosulfonylphenyl)-2-oxo-oxazolidin-5-yl]methyl 2,2,2-trifluoroacetate
CAS Name: 2,2,2-trifluoroacetic acid [3-(4-chlorosulfonylphenyl)-2-oxo-5-oxazolidinyl]methyl ester
IUPAC NAME: [3-(4-chlorosulfonylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2,2,2-trifluoroacetate
SYSTEMATIC NAME: [3-(4-chloranylsulfonylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C12H9ClF3NO6S
MOLECULAR WEIGHT: 387.71617
SMILES: C1C(OC(=O)N1C2=CC=C(C=C2)S(=O)(=O)Cl)COC(=O)C(F)(F)F
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Product OPENEYE NAME: 5-(hydroxymethyl)-3-[4-[(Z)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]oxazolidin-2-one
CAS Name: 3-[4-[(1Z)-1-hydroxyiminoethyl]phenyl]-5-(hydroxymethyl)-2-oxazolidinone
IUPAC NAME: 5-(hydroxymethyl)-3-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-[4-[(Z)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: C/C(=N/O)/C1=CC=C(C=C1)N2CC(OC2=O)CO
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Product OPENEYE NAME: 2-(3-benzyloxy-2-hydroxy-propyl)-4-methyl-N-phenyl-benzenesulfonamide
CAS Name: 2-(2-hydroxy-3-phenylmethoxypropyl)-4-methyl-N-phenylbenzenesulfonamide
IUPAC NAME: 2-(2-hydroxy-3-phenylmethoxypropyl)-4-methyl-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 4-methyl-2-(2-oxidanyl-3-phenylmethoxy-propyl)-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C23H25NO4S
MOLECULAR WEIGHT: 411.5139
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)CC(COCC3=CC=CC=C3)O
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Product OPENEYE NAME: N-butyl-4-[5-(hydroxymethyl)-2-oxo-oxazolidin-3-yl]benzenesulfonamide
CAS Name: N-butyl-4-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]benzenesulfonamide
IUPAC NAME: N-butyl-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
SYSTEMATIC NAME: N-butyl-4-[5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]benzenesulfonamide
MOLECULAR FORMULA: C14H20N2O5S
MOLECULAR WEIGHT: 328.384
SMILES: CCCCNS(=O)(=O)C1=CC=C(C=C1)N2CC(OC2=O)CO
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Product OPENEYE NAME: 1-anilinopropane-1,3-diol
CAS Name: 1-anilinopropane-1,3-diol
IUPAC NAME: 1-anilinopropane-1,3-diol
SYSTEMATIC NAME: 1-phenylazanylpropane-1,3-diol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C1=CC=C(C=C1)NC(CCO)O
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Product OPENEYE NAME: 5-(hydroxymethyl)-3-[4-[(Z)-N-methoxy-C-methyl-carbonimidoyl]phenyl]oxazolidin-2-one
CAS Name: 5-(hydroxymethyl)-3-[4-[(1Z)-1-methoxyiminoethyl]phenyl]-2-oxazolidinone
IUPAC NAME: 5-(hydroxymethyl)-3-[4-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-[4-[(Z)-N-methoxy-C-methyl-carbonimidoyl]phenyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: C/C(=N/OC)/C1=CC=C(C=C1)N2CC(OC2=O)CO
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Product OPENEYE NAME: methyl 6-(2-amino-3-methoxy-3-oxo-propyl)sulfanyl-7-hydroxy-octadecanoate
CAS Name: 6-[(2-amino-3-methoxy-3-oxopropyl)thio]-7-hydroxyoctadecanoic acid methyl ester
IUPAC NAME: methyl 6-(2-amino-3-methoxy-3-oxopropyl)sulfanyl-7-hydroxyoctadecanoate
SYSTEMATIC NAME: methyl 6-(2-azanyl-3-methoxy-3-oxidanylidene-propyl)sulfanyl-7-oxidanyl-octadecanoate
MOLECULAR FORMULA: C23H45NO5S
MOLECULAR WEIGHT: 447.6721
SMILES: CCCCCCCCCCCC(C(CCCCC(=O)OC)SCC(C(=O)OC)N)O
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Product OPENEYE NAME: 2-hydroxyethyl N-hydroxycarbamate; terephthalic acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CAS Name: N-hydroxycarbamic acid 2-hydroxyethyl ester; terephthalic acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
IUPAC NAME: 2-hydroxyethyl N-hydroxycarbamate; terephthalic acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 2-hydroxyethyl N-oxidanylcarbamate; terephthalic acid; 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C20H28N4O14
MOLECULAR WEIGHT: 548.45472
SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO.C(COC(=O)NO)O
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Product OPENEYE NAME: 2-hydroxyethyl N-hydroxycarbamate
CAS Name: N-hydroxycarbamic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl N-hydroxycarbamate
SYSTEMATIC NAME: 2-hydroxyethyl N-oxidanylcarbamate
MOLECULAR FORMULA: C3H7NO4
MOLECULAR WEIGHT: 121.09198
SMILES: C(COC(=O)NO)O
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Product OPENEYE NAME: aluminum calcium chloride
CAS Name: aluminum calcium chloride
IUPAC NAME: aluminum calcium chloride
SYSTEMATIC NAME: aluminum calcium chloride
MOLECULAR FORMULA: AlCaCl+4
MOLECULAR WEIGHT: 102.512538
SMILES: [Al+3].[Cl-].[Ca+2]
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Product OPENEYE NAME: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]thiourea
CAS Name: 1-[4-[[(4-ethylanilino)-sulfanylidenemethyl]amino]phenyl]-3-(4-nitrophenyl)thiourea
IUPAC NAME: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]thiourea
SYSTEMATIC NAME: 1-(4-ethylphenyl)-3-[4-[(4-nitrophenyl)carbamothioylamino]phenyl]thiourea
MOLECULAR FORMULA: C22H21N5O2S2
MOLECULAR WEIGHT: 451.56444
SMILES: CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[4-[[(4-chlorophenyl)-ethyl-carbamothioyl]-ethyl-amino]phenyl]-1,3-diethyl-thiourea
CAS Name: 1-[4-[[(4-chloro-N-ethylanilino)-sulfanylidenemethyl]-ethylamino]phenyl]-3-(4-chlorophenyl)-1,3-diethylthiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-[4-[[(4-chlorophenyl)-ethylcarbamothioyl]-ethylamino]phenyl]-1,3-diethylthiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[4-[[(4-chlorophenyl)-ethyl-carbamothioyl]-ethyl-amino]phenyl]-1,3-diethyl-thiourea
MOLECULAR FORMULA: C28H32Cl2N4S2
MOLECULAR WEIGHT: 559.61648
SMILES: CCN(C1=CC=C(C=C1)N(CC)C(=S)N(CC)C2=CC=C(C=C2)Cl)C(=S)N(CC)C3=CC=C(C=C3)Cl
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