Product OPENEYE NAME: (2,4-dinitro-6-sec-butyl-phenyl) isopropyl carbonate
CAS Name: carbonic acid (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl ester
IUPAC NAME: (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate
SYSTEMATIC NAME: (2-butan-2-yl-4,6-dinitro-phenyl) propan-2-yl carbonate
MOLECULAR FORMULA: C14H18N2O7
MOLECULAR WEIGHT: 326.30192
SMILES: CCC(C)C1=CC(=CC(=C1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride
CAS Name: 4,4-diphenyl-1-(1-piperidin-1-iumyl)-2-butanone chloride
IUPAC NAME: 4,4-diphenyl-1-piperidin-1-ium-1-ylbutan-2-one chloride
SYSTEMATIC NAME: 4,4-diphenyl-1-piperidin-1-ium-1-yl-butan-2-one chloride
MOLECULAR FORMULA: C21H26ClNO
MOLECULAR WEIGHT: 343.89024
SMILES: C1CC[NH+](CC1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 4,4-diphenyl-1-(1-piperidyl)butan-2-one
CAS Name: 4,4-diphenyl-1-(1-piperidinyl)-2-butanone
IUPAC NAME: 4,4-diphenyl-1-piperidin-1-ylbutan-2-one
SYSTEMATIC NAME: 4,4-diphenyl-1-piperidin-1-yl-butan-2-one
MOLECULAR FORMULA: C21H25NO
MOLECULAR WEIGHT: 307.4293
SMILES: C1CCN(CC1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-morpholin-4-ium-4-yl-4,4-diphenyl-butan-2-one chloride
CAS Name: 1-(4-morpholin-4-iumyl)-4,4-diphenyl-2-butanone chloride
IUPAC NAME: 1-morpholin-4-ium-4-yl-4,4-diphenylbutan-2-one chloride
SYSTEMATIC NAME: 1-morpholin-4-ium-4-yl-4,4-diphenyl-butan-2-one chloride
MOLECULAR FORMULA: C20H24ClNO2
MOLECULAR WEIGHT: 345.86306
SMILES: C1COCC[NH+]1CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 1-morpholino-4,4-diphenyl-butan-2-one
CAS Name: 1-(4-morpholinyl)-4,4-diphenyl-2-butanone
IUPAC NAME: 1-morpholin-4-yl-4,4-diphenylbutan-2-one
SYSTEMATIC NAME: 1-morpholin-4-yl-4,4-diphenyl-butan-2-one
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: C1COCCN1CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: calcium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: calcium 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: calcium 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: calcium 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H18CaN2O4S+2
MOLECULAR WEIGHT: 374.46812
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.[Ca+2]
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
CAS Name: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
IUPAC NAME: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
MOLECULAR FORMULA: C22H28O3
MOLECULAR WEIGHT: 340.45592
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C
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Product OPENEYE NAME: (17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17S)-17-ethanoyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CC1=CC2C3CC[C@](C3(CCC2C4(C1=CC(=O)CC4)C)C)(C)C(=O)C
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Product OPENEYE NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
CAS Name: pentanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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Product OPENEYE NAME: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
CAS Name: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid
IUPAC NAME: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-azanyl-butanoic acid
MOLECULAR FORMULA: C14H20N6O5S
MOLECULAR WEIGHT: 384.4108
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(C(=O)O)N)O)O
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Product OPENEYE NAME: 1,3,5-trichloro-2,4,6-triphenyl-1,3,5,2,4,6-triazatriborinane
CAS Name: 1,3,5-trichloro-2,4,6-triphenyl-1,3,5,2,4,6-triazatriborinane
IUPAC NAME: 1,3,5-trichloro-2,4,6-triphenyl-1,3,5,2,4,6-triazatriborinane
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2,4,6-triphenyl-1,3,5,2,4,6-triazatriborinane
MOLECULAR FORMULA: C18H15B3Cl3N3
MOLECULAR WEIGHT: 412.1238
SMILES: B1(N(B(N(B(N1Cl)C2=CC=CC=C2)Cl)C3=CC=CC=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxo-butanoate
CAS Name: sodium 4-[2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate
IUPAC NAME: sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate
SYSTEMATIC NAME: sodium 4-[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-oxidanyl-propoxy]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C15H15Cl2N2NaO8
MOLECULAR WEIGHT: 445.18397
SMILES: C1=CC(=CC=C1C(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+]
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Product OPENEYE NAME: acetoxymethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid acetyloxymethyl ester
IUPAC NAME: acetyloxymethyl 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: acetyloxymethyl 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C19H22N2O6S
MOLECULAR WEIGHT: 406.45278
SMILES: CC(=O)OCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C
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Product OPENEYE NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium chloride
CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
IUPAC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
SYSTEMATIC NAME: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinolin-2-ium chloride
MOLECULAR FORMULA: C24H30ClNO4
MOLECULAR WEIGHT: 431.9523
SMILES: CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(3-phenylisoxazol-5-yl)ethyl]ammonium
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-phenyl-5-isoxazolyl)ethyl]ammonium
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium
SYSTEMATIC NAME: diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium; 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C21H28N2O8
MOLECULAR WEIGHT: 436.45562
SMILES: CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: N,N-diethyl-2-(3-phenylisoxazol-5-yl)ethanamine
CAS Name: N,N-diethyl-2-(3-phenyl-5-isoxazolyl)ethanamine
IUPAC NAME: N,N-diethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CCN(CC)CCC1=CC(=NO1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; 5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)isoxazole
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 5-phenyl-3-[2-(1-piperidin-1-iumyl)ethyl]isoxazole
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
MOLECULAR FORMULA: C22H28N2O8
MOLECULAR WEIGHT: 448.46632
SMILES: C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: 5-phenyl-3-[2-(1-piperidyl)ethyl]isoxazole
CAS Name: 5-phenyl-3-[2-(1-piperidinyl)ethyl]isoxazole
IUPAC NAME: 5-phenyl-3-(2-piperidin-1-ylethyl)-1,2-oxazole
SYSTEMATIC NAME: 5-phenyl-3-(2-piperidin-1-ylethyl)-1,2-oxazole
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: C1CCN(CC1)CCC2=NOC(=C2)C3=CC=CC=C3
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