Product OPENEYE NAME: methyl 2-bis(2-methoxy-1-methyl-2-oxo-ethoxy)phosphanyloxypropanoate
CAS Name: 2-bis[(1-methoxy-1-oxopropan-2-yl)oxy]phosphinooxypropanoic acid methyl ester
IUPAC NAME: methyl 2-bis[(1-methoxy-1-oxopropan-2-yl)oxy]phosphanyloxypropanoate
SYSTEMATIC NAME: methyl 2-bis[(1-methoxy-1-oxidanylidene-propan-2-yl)oxy]phosphanyloxypropanoate
MOLECULAR FORMULA: C12H21O9P
MOLECULAR WEIGHT: 340.263501
SMILES: CC(C(=O)OC)OP(OC(C)C(=O)OC)OC(C)C(=O)OC
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Product OPENEYE NAME: ethyl 2-hydroxyethylsulfanylformate
CAS Name: (2-hydroxyethylthio)formic acid ethyl ester
IUPAC NAME: ethyl 2-hydroxyethylsulfanylformate
SYSTEMATIC NAME: ethyl 2-hydroxyethylsulfanylmethanoate
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CCOC(=O)SCCO
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Product OPENEYE NAME: tris(1-cyanoethyl) phosphite
CAS Name: phosphorous acid tris(1-cyanoethyl) ester
IUPAC NAME: tris(1-cyanoethyl) phosphite
SYSTEMATIC NAME: tris(1-cyanoethyl) phosphite
MOLECULAR FORMULA: C9H12N3O3P
MOLECULAR WEIGHT: 241.183641
SMILES: CC(C#N)OP(OC(C)C#N)OC(C)C#N
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Product OPENEYE NAME: 1,2,4-triazinan-4-ylmethanetricarbonitrile
CAS Name: 1,2,4-triazinan-4-ylmethanetricarbonitrile
IUPAC NAME: 1,2,4-triazinan-4-ylmethanetricarbonitrile
SYSTEMATIC NAME: 1,2,4-triazinan-4-ylmethanetricarbonitrile
MOLECULAR FORMULA: C7H8N6
MOLECULAR WEIGHT: 176.17862
SMILES: C1CN(CNN1)C(C#N)(C#N)C#N
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Product OPENEYE NAME: hexane-1,1,2,3,4,6-hexol
CAS Name: hexane-1,1,2,3,4,6-hexol
IUPAC NAME: hexane-1,1,2,3,4,6-hexol
SYSTEMATIC NAME: hexane-1,1,2,3,4,6-hexol
MOLECULAR FORMULA: C6H14O6
MOLECULAR WEIGHT: 182.17176
SMILES: C(CO)C(C(C(C(O)O)O)O)O
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Product OPENEYE NAME: 7-methyl-1H-quinazolin-2-one
CAS Name: 7-methyl-1H-quinazolin-2-one
IUPAC NAME: 7-methyl-1H-quinazolin-2-one
SYSTEMATIC NAME: 7-methyl-1H-quinazolin-2-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC1=CC2=C(C=C1)C=NC(=O)N2
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Product OPENEYE NAME: 5-chloro-N-imidazolidin-2-yl-7-methyl-2,1,3-benzothiadiazol-4-amine
CAS Name: 5-chloro-N-(2-imidazolidinyl)-7-methyl-2,1,3-benzothiadiazol-4-amine
IUPAC NAME: 5-chloro-N-imidazolidin-2-yl-7-methyl-2,1,3-benzothiadiazol-4-amine
SYSTEMATIC NAME: 5-chloranyl-N-imidazolidin-2-yl-7-methyl-2,1,3-benzothiadiazol-4-amine
MOLECULAR FORMULA: C10H12ClN5S
MOLECULAR WEIGHT: 269.75378
SMILES: CC1=CC(=C(C2=NSN=C12)NC3NCCN3)Cl
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Product OPENEYE NAME: N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-2-oxo-oxazolidine-4-carboxamide
CAS Name: N-[1-(2-carbamoyl-1-pyrrolidinyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-oxo-4-oxazolidinecarboxamide
IUPAC NAME: N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxamide
MOLECULAR FORMULA: C15H20N6O5
MOLECULAR WEIGHT: 364.3565
SMILES: C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3COC(=O)N3)C(=O)N
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Product OPENEYE NAME: 2-[(4-butoxybenzoyl)amino]-3-phenyl-propanoic acid
CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid
IUPAC NAME: 2-[(4-butoxybenzoyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-methyl-2-oxo-oxazolidine-4-carboxamide
CAS Name: N-[1-(2-carbamoyl-1-pyrrolidinyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-methyl-2-oxo-4-oxazolidinecarboxamide
IUPAC NAME: N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-methyl-2-oxidanylidene-1,3-oxazolidine-4-carboxamide
MOLECULAR FORMULA: C16H22N6O5
MOLECULAR WEIGHT: 378.38308
SMILES: CC1C(NC(=O)O1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N
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Product OPENEYE NAME: 4-[methyl(octanoyl)amino]benzoic acid
CAS Name: 4-[methyl(1-oxooctyl)amino]benzoic acid
IUPAC NAME: 4-[methyl(octanoyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[methyl(octanoyl)amino]benzoic acid
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CCCCCCCC(=O)N(C)C1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 1,1-dimethyldecalin-4a-carboxylic acid
CAS Name: 8,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalene-4a-carboxylic acid
IUPAC NAME: 8,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalene-4a-carboxylic acid
SYSTEMATIC NAME: 8,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalene-4a-carboxylic acid
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CC1(CCCC2(C1CCCC2)C(=O)O)C
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Product OPENEYE NAME: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid
CAS Name: 3-(1H-indol-3-yl)-2-(1-oxodecylamino)propanoic acid
IUPAC NAME: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-(decanoylamino)-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C21H30N2O3
MOLECULAR WEIGHT: 358.4745
SMILES: CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
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Product OPENEYE NAME: 2-(octadecanoylamino)-3-phenyl-propanoic acid
CAS Name: 2-(1-oxooctadecylamino)-3-phenylpropanoic acid
IUPAC NAME: 2-(octadecanoylamino)-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-(octadecanoylamino)-3-phenyl-propanoic acid
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 3-methyl-2-(tetradecanoylamino)butanoic acid
CAS Name: 3-methyl-2-(1-oxotetradecylamino)butanoic acid
IUPAC NAME: 3-methyl-2-(tetradecanoylamino)butanoic acid
SYSTEMATIC NAME: 3-methyl-2-(tetradecanoylamino)butanoic acid
MOLECULAR FORMULA: C19H37NO3
MOLECULAR WEIGHT: 327.50198
SMILES: CCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)O
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Product OPENEYE NAME: 2-(decanoylamino)-3-hydroxy-butanoic acid
CAS Name: 3-hydroxy-2-(1-oxodecylamino)butanoic acid
IUPAC NAME: 2-(decanoylamino)-3-hydroxybutanoic acid
SYSTEMATIC NAME: 2-(decanoylamino)-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C14H27NO4
MOLECULAR WEIGHT: 273.36848
SMILES: CCCCCCCCCC(=O)NC(C(C)O)C(=O)O
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Product OPENEYE NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-oxothiazolidine-4-carbonyl)pyrrolidin-1-ium-2-carboxamide
CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-(2-oxo-4-thiazolidinyl)methyl]-2-pyrrolidin-1-iumcarboxamide
IUPAC NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-oxo-1,3-thiazolidine-4-carbonyl)pyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(2-oxidanylidene-1,3-thiazolidin-4-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C15H21N6O4S+
MOLECULAR WEIGHT: 381.43004
SMILES: C1CC([N+](C1)(C(=O)C2CSC(=O)N2)C(=O)C(CC3=CN=CN3)N)C(=O)N
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