CAS RN: 6367-98-2
CAS Name: (2R)-2-ammonio-3-(2-hydroxyethylthio)propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-(2-hydroxyethylsulfanyl)propanoate
IUPAC Name: (2R)-2-azaniumyl-3-(2-hydroxyethylsulfanyl)propanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-(2-hydroxyethylsulfanyl)propanoate
MOLECULAR FORMULA: C5H11NO3S
MOLECULAR WEIGHT: 165.21074
SMILES: C(CSC[C@@H](C(=O)[O-])[NH3+])O
Structure:
CAS RN: 217313-84-3
CAS Name: [amino-[4-[[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]methylidene]ammonium
OPENEYE Name: [amino-[4-[[bis(tert-butoxycarbonyl)amino]methyl]phenyl]methylene]ammonium
IUPAC Name: [amino-[4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[4-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methylidene]azanium
MOLECULAR FORMULA: C18H28N3O4+
MOLECULAR WEIGHT: 350.43262
SMILES: CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=[NH2+])N)C(=O)OC(C)(C)C
Structure:
CAS RN: 153039-17-9
CAS Name: 2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate
OPENEYE Name: 4-(tert-butoxycarbonylamino)-2,2-dimethyl-butanoate
IUPAC Name: 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SYSTEMATIC NAME: 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
MOLECULAR FORMULA: C11H20NO4-
MOLECULAR WEIGHT: 230.2808
SMILES: CC(C)(C)OC(=O)NCCC(C)(C)C(=O)[O-]
Structure:
CAS RN: 301541-47-9
CAS Name: (5R)-5-methyl-1-(phenylmethyl)-2-piperazin-4-iumone
OPENEYE Name: (5R)-1-benzyl-5-methyl-piperazin-4-ium-2-one
IUPAC Name: (5R)-1-benzyl-5-methylpiperazin-4-ium-2-one
SYSTEMATIC NAME: (5R)-5-methyl-1-(phenylmethyl)piperazin-4-ium-2-one
MOLECULAR FORMULA: C12H17N2O+
MOLECULAR WEIGHT: 205.27618
SMILES: C[C@@H]1CN(C(=O)C[NH2+]1)CC2=CC=CC=C2
Structure:
CAS RN: 870062-76-3
CAS Name: 6-chloro-5-fluoro-3-pyridinol
OPENEYE Name: 6-chloro-5-fluoro-pyridin-3-ol
IUPAC Name: 6-chloro-5-fluoropyridin-3-ol
SYSTEMATIC NAME: 6-chloranyl-5-fluoranyl-pyridin-3-ol
MOLECULAR FORMULA: C5H3ClFNO
MOLECULAR WEIGHT: 147.534823
SMILES: C1=C(C=NC(=C1F)Cl)O
Structure:
CAS RN: 960067-43-0
CAS Name: 2-amino-5-bromo-3-fluorobenzoic acid
OPENEYE Name: 2-amino-5-bromo-3-fluoro-benzoic acid
IUPAC Name: 2-amino-5-bromo-3-fluorobenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-bromanyl-3-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H5BrFNO2
MOLECULAR WEIGHT: 234.022503
SMILES: C1=C(C=C(C(=C1F)N)C(=O)O)Br
Structure:
CAS RN: 2710-86-3
CAS Name: 2-fluoro-2-(methylsulfonyloxymethyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-fluoro-2-(methylsulfonyloxymethyl)propanedioate
IUPAC Name: diethyl 2-fluoro-2-(methylsulfonyloxymethyl)propanedioate
SYSTEMATIC NAME: diethyl 2-fluoranyl-2-(methylsulfonyloxymethyl)propanedioate
MOLECULAR FORMULA: C9H15FO7S
MOLECULAR WEIGHT: 286.274603
SMILES: CCOC(=O)C(COS(=O)(=O)C)(C(=O)OCC)F
Structure:
CAS RN: 37098-43-4
CAS Name: (1R,2S,4S,5R)-3,6-dinitrocyclohexane-1,2,4,5-tetrol
OPENEYE Name: (1R,2S,4S,5R)-3,6-dinitrocyclohexane-1,2,4,5-tetrol
IUPAC Name: (1R,2S,4S,5R)-3,6-dinitrocyclohexane-1,2,4,5-tetrol
SYSTEMATIC NAME: (1R,2S,4S,5R)-3,6-dinitrocyclohexane-1,2,4,5-tetrol
MOLECULAR FORMULA: C6H10N2O8
MOLECULAR WEIGHT: 238.1522
SMILES: [C@H]1([C@@H](C([C@H]([C@H](C1[N+](=O)[O-])O)O)[N+](=O)[O-])O)O
Structure:
CAS RN: 886363-36-6
CAS Name: 2-[4-(3,4-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(3,4-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[4-(3,4-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[3,4-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC=C1CC(=O)O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 866108-76-1
CAS Name: 2-[3-(3,4-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[3-(3,4-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[3-(3,4-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[3,4-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC(=C1)CC(=O)O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 886363-33-3
CAS Name: 2-[2-(3,4-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(3,4-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[2-(3,4-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[3,4-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC=C(C(=C1)CC(=O)O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 885963-39-3
CAS Name: 3-(3,4-difluorophenyl)benzoic acid
OPENEYE Name: 3-(3,4-difluorophenyl)benzoic acid
IUPAC Name: 3-(3,4-difluorophenyl)benzoic acid
SYSTEMATIC NAME: 3-[3,4-bis(fluoranyl)phenyl]benzoic acid
MOLECULAR FORMULA: C13H8F2O2
MOLECULAR WEIGHT: 234.198226
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)F)F
Structure:
CAS RN: 886363-30-0
CAS Name: 2-(3,4-difluorophenyl)benzoic acid
OPENEYE Name: 2-(3,4-difluorophenyl)benzoic acid
IUPAC Name: 2-(3,4-difluorophenyl)benzoic acid
SYSTEMATIC NAME: 2-[3,4-bis(fluoranyl)phenyl]benzoic acid
MOLECULAR FORMULA: C13H8F2O2
MOLECULAR WEIGHT: 234.198226
SMILES: C1=CC=C(C(=C1)C2=CC(=C(C=C2)F)F)C(=O)O
Structure:
CAS RN: 886363-26-4
CAS Name: 2-[4-(3,5-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[4-(3,5-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[4-(3,5-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[3,5-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC=C1CC(=O)O)C2=CC(=CC(=C2)F)F
Structure:
CAS RN: 866108-77-2
CAS Name: 2-[3-(3,5-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[3-(3,5-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[3-(3,5-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[3,5-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC(=CC(=C1)CC(=O)O)C2=CC(=CC(=C2)F)F
Structure:
CAS RN: 886363-23-1
CAS Name: 2-[2-(3,5-difluorophenyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(3,5-difluorophenyl)phenyl]acetic acid
IUPAC Name: 2-[2-(3,5-difluorophenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-[3,5-bis(fluoranyl)phenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H10F2O2
MOLECULAR WEIGHT: 248.224806
SMILES: C1=CC=C(C(=C1)CC(=O)O)C2=CC(=CC(=C2)F)F
Structure:
CAS RN: 177734-83-7
CAS Name: 3-(3,5-difluorophenyl)benzoate
OPENEYE Name: 3-(3,5-difluorophenyl)benzoate
IUPAC Name: 3-(3,5-difluorophenyl)benzoate
SYSTEMATIC NAME: 3-[3,5-bis(fluoranyl)phenyl]benzoate
MOLECULAR FORMULA: C13H7F2O2-
MOLECULAR WEIGHT: 233.190286
SMILES: C1=CC(=CC(=C1)C(=O)[O-])C2=CC(=CC(=C2)F)F
Structure:
CAS RN: 886363-21-9
CAS Name: 2-(3,5-difluorophenyl)benzoic acid
OPENEYE Name: 2-(3,5-difluorophenyl)benzoic acid
IUPAC Name: 2-(3,5-difluorophenyl)benzoic acid
SYSTEMATIC NAME: 2-[3,5-bis(fluoranyl)phenyl]benzoic acid
MOLECULAR FORMULA: C13H8F2O2
MOLECULAR WEIGHT: 234.198226
SMILES: C1=CC=C(C(=C1)C2=CC(=CC(=C2)F)F)C(=O)O
Structure:
CAS RN: 886363-13-9
CAS Name: 2-[3-(3-acetylphenyl)phenyl]acetic acid
OPENEYE Name: 2-[3-(3-acetylphenyl)phenyl]acetic acid
IUPAC Name: 2-[3-(3-acetylphenyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-(3-ethanoylphenyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CC(=O)O
Structure:
CAS RN: 886362-70-5
CAS Name: 5-fluoro-2-methyl-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
IUPAC Name: ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-fluoranyl-2-methyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H12FNO2
MOLECULAR WEIGHT: 221.227583
SMILES: CCOC(=O)C1=C(NC2=C1C=C(C=C2)F)C
Structure:
CAS RN: 886362-69-2
CAS Name: 6-fluoro-2-methyl-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate
IUPAC Name: ethyl 6-fluoro-2-methyl-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 6-fluoranyl-2-methyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H12FNO2
MOLECULAR WEIGHT: 221.227583
SMILES: CCOC(=O)C1=C(NC2=C1C=CC(=C2)F)C
Structure:
CAS RN: 886362-68-1
CAS Name: 4-fluoro-2-methyl-1H-indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
IUPAC Name: ethyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-fluoranyl-2-methyl-1H-indole-3-carboxylate
MOLECULAR FORMULA: C12H12FNO2
MOLECULAR WEIGHT: 221.227583
SMILES: CCOC(=O)C1=C(NC2=C1C(=CC=C2)F)C
Structure:
CAS RN: 475653-05-5
CAS Name: 4-(3,5-dichlorophenyl)piperidine
OPENEYE Name: 4-(3,5-dichlorophenyl)piperidine
IUPAC Name: 4-(3,5-dichlorophenyl)piperidine
SYSTEMATIC NAME: 4-[3,5-bis(chloranyl)phenyl]piperidine
MOLECULAR FORMULA: C11H13Cl2N
MOLECULAR WEIGHT: 230.13362
SMILES: C1CNCCC1C2=CC(=CC(=C2)Cl)Cl
Structure:
CAS RN: 809273-70-9
CAS Name: N-[(4-oxocyclohexyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-oxidanylidenecyclohexyl)methyl]carbamate
MOLECULAR FORMULA: C12H21NO3
MOLECULAR WEIGHT: 227.30004
SMILES: CC(C)(C)OC(=O)NCC1CCC(=O)CC1
Structure:
CAS RN: 865450-09-5
CAS Name: N-(2-fluoro-4-formylphenyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-fluoro-4-formyl-phenyl)carbamate
IUPAC Name: tert-butyl N-(2-fluoro-4-formylphenyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-fluoranyl-4-methanoyl-phenyl)carbamate
MOLECULAR FORMULA: C12H14FNO3
MOLECULAR WEIGHT: 239.242863
SMILES: CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C=O)F
Structure:
CAS RN: 886362-52-3
CAS Name: N-[(3-carbamimidoylphenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3-carbamimidoylphenyl)methyl]carbamate
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=N)N
Structure:
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