Product OPENEYE NAME: 4,4-diphenyl-6-(1-piperidyl)heptan-3-one hydrochloride
CAS Name: 4,4-diphenyl-6-(1-piperidinyl)-3-heptanone hydrochloride
IUPAC NAME: 4,4-diphenyl-6-piperidin-1-ylheptan-3-one hydrochloride
SYSTEMATIC NAME: 4,4-diphenyl-6-piperidin-1-yl-heptan-3-one hydrochloride
MOLECULAR FORMULA: C24H32ClNO
MOLECULAR WEIGHT: 385.96998
SMILES: CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
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Product OPENEYE NAME: 4,4-diphenyl-6-(1-piperidyl)heptan-3-one
CAS Name: 4,4-diphenyl-6-(1-piperidinyl)-3-heptanone
IUPAC NAME: 4,4-diphenyl-6-piperidin-1-ylheptan-3-one
SYSTEMATIC NAME: 4,4-diphenyl-6-piperidin-1-yl-heptan-3-one
MOLECULAR FORMULA: C24H31NO
MOLECULAR WEIGHT: 349.50904
SMILES: CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1,3-dicyclohexyl-5-pentyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C21H34N2O3
MOLECULAR WEIGHT: 362.50626
SMILES: CCCCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol
CAS Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanol
IUPAC NAME: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-ol
MOLECULAR FORMULA: C21H27FN2O2
MOLECULAR WEIGHT: 358.449683
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC=C(C=C3)F)O
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Product OPENEYE NAME: 2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
CAS Name: 2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
IUPAC NAME: 2-amino-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]propanoic acid
MOLECULAR FORMULA: C19H22Cl2N2O3
MOLECULAR WEIGHT: 397.29558
SMILES: C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)N(CCCl)CCCl
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Product OPENEYE NAME: 2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
CAS Name: 2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
IUPAC NAME: 2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-nitro-1-[[2-nitro-4-(trifluoromethyl)phenyl]disulfanyl]-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C14H6F6N2O4S2
MOLECULAR WEIGHT: 444.328859
SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO
MOLECULAR WEIGHT: 295.4186
SMILES: CN(C)CCOC1CC2=CC=CC=C2CCC3=CC=CC=C13
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C46H58N4O9
MOLECULAR WEIGHT: 810.97412
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
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Product OPENEYE NAME: tricobaltous dicitrate
CAS Name: cobalt(2+); 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: cobalt(2+); 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: cobalt(2+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C12H10Co3O14
MOLECULAR WEIGHT: 554.999
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+2].[Co+2].[Co+2]
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Product OPENEYE NAME: tripotassium citrate
CAS Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: tripotassium 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tripotassium 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5K3O7
MOLECULAR WEIGHT: 306.3946
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
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Product OPENEYE NAME: ethyl 2-diethoxyphosphorylacetate
CAS Name: 2-diethoxyphosphorylacetic acid ethyl ester
IUPAC NAME: ethyl 2-diethoxyphosphorylacetate
SYSTEMATIC NAME: ethyl 2-diethoxyphosphorylethanoate
MOLECULAR FORMULA: C8H17O5P
MOLECULAR WEIGHT: 224.191341
SMILES: CCOC(=O)CP(=O)(OCC)OCC
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Product OPENEYE NAME: 2-ethylsulfanylethoxy-dimethoxy-thioxo-$l^{5}-phosphane
CAS Name: 2-(ethylthio)ethoxy-dimethoxy-sulfanylidenephosphorane
IUPAC NAME: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C6H15O3PS2
MOLECULAR WEIGHT: 230.285261
SMILES: CCSCCOP(=S)(OC)OC
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Product OPENEYE NAME: 2-methylisothiourea; sulfuric acid
CAS Name: carbamimidothioic acid methyl ester; sulfuric acid
IUPAC NAME: methyl carbamimidothioate; sulfuric acid
SYSTEMATIC NAME: methyl carbamimidothioate; sulfuric acid
MOLECULAR FORMULA: C4H14N4O4S3
MOLECULAR WEIGHT: 278.37336
SMILES: CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
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Product OPENEYE NAME: 3-[(2,4-dihydroxy-4-methyl-pentanoyl)amino]propanoic acid
CAS Name: 3-[(2,4-dihydroxy-4-methyl-1-oxopentyl)amino]propanoic acid
IUPAC NAME: 3-[(2,4-dihydroxy-4-methylpentanoyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[[4-methyl-2,4-bis(oxidanyl)pentanoyl]amino]propanoic acid
MOLECULAR FORMULA: C9H17NO5
MOLECULAR WEIGHT: 219.23498
SMILES: CC(C)(CC(C(=O)NCCC(=O)O)O)O
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Product OPENEYE NAME: (2-carboxy-2-fluoro-ethyl)ammonium chloride
CAS Name: (2-carboxy-2-fluoroethyl)ammonium chloride
IUPAC NAME: (2-carboxy-2-fluoroethyl)azanium chloride
SYSTEMATIC NAME: (2-fluoranyl-3-oxidanyl-3-oxidanylidene-propyl)azanium chloride
MOLECULAR FORMULA: C3H7ClFNO2
MOLECULAR WEIGHT: 143.544583
SMILES: C(C(C(=O)O)F)[NH3+].[Cl-]
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Product OPENEYE NAME: 3-amino-2-fluoro-propanoic acid
CAS Name: 3-amino-2-fluoropropanoic acid
IUPAC NAME: 3-amino-2-fluoropropanoic acid
SYSTEMATIC NAME: 3-azanyl-2-fluoranyl-propanoic acid
MOLECULAR FORMULA: C3H6FNO2
MOLECULAR WEIGHT: 107.083643
SMILES: C(C(C(=O)O)F)N
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Product OPENEYE NAME: dilithium (2R,3R)-2,3-dihydroxybutanedioate
CAS Name: dilithium (2R,3R)-2,3-dihydroxybutanedioate
IUPAC NAME: dilithium (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dilithium (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4Li2O6
MOLECULAR WEIGHT: 161.95296
SMILES: [Li+].[Li+].[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O
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Product OPENEYE NAME: disodium 2,3-dihydroxybutanedioate
CAS Name: disodium 2,3-dihydroxybutanedioate
IUPAC NAME: disodium 2,3-dihydroxybutanedioate
SYSTEMATIC NAME: disodium 2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C4H4Na2O6
MOLECULAR WEIGHT: 194.0505
SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+]
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Product OPENEYE NAME: 2-aminoprop-1-ene-1,1,3-tricarbonitrile
CAS Name: 2-amino-1-propene-1,1,3-tricarbonitrile
IUPAC NAME: 2-aminoprop-1-ene-1,1,3-tricarbonitrile
SYSTEMATIC NAME: 2-azanylprop-1-ene-1,1,3-tricarbonitrile
MOLECULAR FORMULA: C6H4N4
MOLECULAR WEIGHT: 132.12276
SMILES: C(C#N)C(=C(C#N)C#N)N
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Product OPENEYE NAME: methyl 2-methylbutanoate
CAS Name: 2-methylbutanoic acid methyl ester
IUPAC NAME: methyl 2-methylbutanoate
SYSTEMATIC NAME: methyl 2-methylbutanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(C)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]ammonium chloride
CAS Name: [(2R)-1-ethoxy-3-mercapto-1-oxopropan-2-yl]ammonium chloride
IUPAC NAME: [(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium chloride
SYSTEMATIC NAME: [(2R)-1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]azanium chloride
MOLECULAR FORMULA: C5H12ClNO2S
MOLECULAR WEIGHT: 185.67228
SMILES: CCOC(=O)[C@H](CS)[NH3+].[Cl-]
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Product OPENEYE NAME: ethyl (2R)-2-amino-3-sulfanyl-propanoate
CAS Name: (2R)-2-amino-3-mercaptopropanoic acid ethyl ester
IUPAC NAME: ethyl (2R)-2-amino-3-sulfanylpropanoate
SYSTEMATIC NAME: ethyl (2R)-2-azanyl-3-sulfanyl-propanoate
MOLECULAR FORMULA: C5H11NO2S
MOLECULAR WEIGHT: 149.21134
SMILES: CCOC(=O)[C@H](CS)N
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Product OPENEYE NAME: 2-hydroxyethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-hydroxyethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: CC(=C)C(=O)OCCO
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