CAS RN: 3054-01-1
CAS Name: (2R)-2-ammonio-3-(phenylmethylthio)propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-benzylsulfanyl-propanoate
IUPAC Name: (2R)-2-azaniumyl-3-benzylsulfanylpropanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-(phenylmethylsulfanyl)propanoate
MOLECULAR FORMULA: C10H13NO2S
MOLECULAR WEIGHT: 211.28072
SMILES: C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 14573-23-0
CAS Name: 2-(2,6-dichlorophenyl)ethylammonium
OPENEYE Name: 2-(2,6-dichlorophenyl)ethylammonium
IUPAC Name: 2-(2,6-dichlorophenyl)ethylazanium
SYSTEMATIC NAME: 2-[2,6-bis(chloranyl)phenyl]ethylazanium
MOLECULAR FORMULA: C8H10Cl2N+
MOLECULAR WEIGHT: 191.0777
SMILES: C1=CC(=C(C(=C1)Cl)CC[NH3+])Cl
Structure:
CAS RN: 116751-24-7
CAS Name: 2,4,5-trifluoro-3-hydroxybenzoate
OPENEYE Name: 2,4,5-trifluoro-3-hydroxy-benzoate
IUPAC Name: 2,4,5-trifluoro-3-hydroxybenzoate
SYSTEMATIC NAME: 2,4,5-tris(fluoranyl)-3-oxidanyl-benzoate
MOLECULAR FORMULA: C7H2F3O3-
MOLECULAR WEIGHT: 191.08419
SMILES: C1=C(C(=C(C(=C1F)F)O)F)C(=O)[O-]
Structure:
CAS RN: 23210-22-2
CAS Name: (3S)-3-methyl-1-phenyl-3H-indol-2-one
OPENEYE Name: (3S)-3-methyl-1-phenyl-indolin-2-one
IUPAC Name: (3S)-3-methyl-1-phenyl-3H-indol-2-one
SYSTEMATIC NAME: (3S)-3-methyl-1-phenyl-3H-indol-2-one
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C[C@H]1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
Structure:
CAS RN: 60811-24-7
CAS Name: 3,4-difluorobenzenethiolate
OPENEYE Name: 3,4-difluorobenzenethiolate
IUPAC Name: 3,4-difluorobenzenethiolate
SYSTEMATIC NAME: 3,4-bis(fluoranyl)benzenethiolate
MOLECULAR FORMULA: C6H3F2S-
MOLECULAR WEIGHT: 145.149826
SMILES: C1=CC(=C(C=C1[S-])F)F
Structure:
CAS RN: 350-29-8
CAS Name: 3-fluoro-4-hydroxybenzoate
OPENEYE Name: 3-fluoro-4-hydroxy-benzoate
IUPAC Name: 3-fluoro-4-hydroxybenzoate
SYSTEMATIC NAME: 3-fluoranyl-4-oxidanyl-benzoate
MOLECULAR FORMULA: C7H4FO3-
MOLECULAR WEIGHT: 155.103263
SMILES: C1=CC(=C(C=C1C(=O)[O-])F)O
Structure:
CAS RN: 103733-66-0
CAS Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
OPENEYE Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
SYSTEMATIC NAME: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: COC1=C(C=C2C[NH2+][C@@H](CC2=C1)C(=O)[O-])OC
Structure:
CAS RN: 134615-22-8
CAS Name: (1S)-1-(3-bromophenyl)ethanol
OPENEYE Name: (1S)-1-(3-bromophenyl)ethanol
IUPAC Name: (1S)-1-(3-bromophenyl)ethanol
SYSTEMATIC NAME: (1S)-1-(3-bromophenyl)ethanol
MOLECULAR FORMULA: C8H9BrO
MOLECULAR WEIGHT: 201.06046
SMILES: C[C@@H](C1=CC(=CC=C1)Br)O
Structure:
CAS RN: 39226-95-4
CAS Name: (2,3-dichlorophenyl)methylammonium
OPENEYE Name: (2,3-dichlorophenyl)methylammonium
IUPAC Name: (2,3-dichlorophenyl)methylazanium
SYSTEMATIC NAME: [2,3-bis(chloranyl)phenyl]methylazanium
MOLECULAR FORMULA: C7H8Cl2N+
MOLECULAR WEIGHT: 177.05112
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C[NH3+]
Structure:
CAS RN: 1199-69-5
CAS Name: 4-(2-ammonioethyl)benzoate
OPENEYE Name: 4-(2-azaniumylethyl)benzoate
IUPAC Name: 4-(2-azaniumylethyl)benzoate
SYSTEMATIC NAME: 4-(2-azaniumylethyl)benzoate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1=CC(=CC=C1CC[NH3+])C(=O)[O-]
Structure:
CAS RN: 115388-93-7
CAS Name: (2S)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-pyrrolidin-1-iumcarboxamide
OPENEYE Name: (2S)-N-(4-methyl-2-oxo-chromen-7-yl)pyrrolidin-1-ium-2-carboxamide
IUPAC Name: (2S)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C15H17N2O3+
MOLECULAR WEIGHT: 273.30708
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H]3CCC[NH2+]3
Structure:
CAS RN: 114676-69-6
CAS Name: (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
OPENEYE Name: O1-tert-butyl O2-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O2-methyl (2R,4R)-4-oxidanylpyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C11H19NO5
MOLECULAR WEIGHT: 245.27226
SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)OC)O
Structure:
CAS RN: 202865-69-8
CAS Name: (5-bromo-2-fluorophenyl)methylammonium
OPENEYE Name: (5-bromo-2-fluoro-phenyl)methylammonium
IUPAC Name: (5-bromo-2-fluorophenyl)methylazanium
SYSTEMATIC NAME: (5-bromanyl-2-fluoranyl-phenyl)methylazanium
MOLECULAR FORMULA: C7H8BrFN+
MOLECULAR WEIGHT: 205.047523
SMILES: C1=CC(=C(C=C1Br)C[NH3+])F
Structure:
CAS RN: 86393-33-1
CAS Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylate
OPENEYE Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate
IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: 7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C13H8ClFNO3-
MOLECULAR WEIGHT: 280.658923
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)[O-]
Structure:
CAS RN: 34317-61-8
CAS Name: (2R)-2-ammonio-3-(phenylthio)propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-phenylsulfanyl-propanoate
IUPAC Name: (2R)-2-azaniumyl-3-phenylsulfanylpropanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-phenylsulfanyl-propanoate
MOLECULAR FORMULA: C9H11NO2S
MOLECULAR WEIGHT: 197.25414
SMILES: C1=CC=C(C=C1)SC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 159453-24-4
CAS Name: (2R)-2-(phenylmethoxycarbonylamino)-3-(phenylthio)propanoate
OPENEYE Name: (2R)-2-(benzyloxycarbonylamino)-3-phenylsulfanyl-propanoate
IUPAC Name: (2R)-2-(phenylmethoxycarbonylamino)-3-phenylsulfanylpropanoate
SYSTEMATIC NAME: (2R)-2-(phenylmethoxycarbonylamino)-3-phenylsulfanyl-propanoate
MOLECULAR FORMULA: C17H16NO4S-
MOLECULAR WEIGHT: 330.37824
SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CSC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 11281-65-5
CAS Name: 2,4,5-trifluoro-3-methoxybenzoate
OPENEYE Name: 2,4,5-trifluoro-3-methoxy-benzoate
IUPAC Name: 2,4,5-trifluoro-3-methoxybenzoate
SYSTEMATIC NAME: 2,4,5-tris(fluoranyl)-3-methoxy-benzoate
MOLECULAR FORMULA: C8H4F3O3-
MOLECULAR WEIGHT: 205.11077
SMILES: COC1=C(C(=CC(=C1F)F)C(=O)[O-])F
Structure:
CAS RN: 1878-94-0
CAS Name: 2-(4-iodophenoxy)acetate
OPENEYE Name: 2-(4-iodophenoxy)acetate
IUPAC Name: 2-(4-iodophenoxy)acetate
SYSTEMATIC NAME: 2-(4-iodanylphenoxy)ethanoate
MOLECULAR FORMULA: C8H6IO3-
MOLECULAR WEIGHT: 277.03591
SMILES: C1=CC(=CC=C1OCC(=O)[O-])I
Structure:
CAS RN: 88495-54-9
CAS Name: (3S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid
OPENEYE Name: (3S)-1-tert-butoxycarbonylpiperidine-3-carboxylic acid
IUPAC Name: (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: (3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)O
Structure:
CAS RN: 163438-09-3
CAS Name: (3R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylate
OPENEYE Name: (3R)-1-tert-butoxycarbonylpiperidine-3-carboxylate
IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate
MOLECULAR FORMULA: C11H18NO4-
MOLECULAR WEIGHT: 228.26492
SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)[O-]
Structure:
CAS RN: 2549-14-6
CAS Name: (1R)-2-amino-1-phenylethanol
OPENEYE Name: (1R)-2-amino-1-phenyl-ethanol
IUPAC Name: (1R)-2-amino-1-phenylethanol
SYSTEMATIC NAME: (1R)-2-azanyl-1-phenyl-ethanol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: C1=CC=C(C=C1)[C@H](CN)O
Structure:
CAS RN: 2045-79-6
CAS Name: 2-(2-methoxyphenyl)ethylammonium
OPENEYE Name: 2-(2-methoxyphenyl)ethylammonium
IUPAC Name: 2-(2-methoxyphenyl)ethylazanium
SYSTEMATIC NAME: 2-(2-methoxyphenyl)ethylazanium
MOLECULAR FORMULA: C9H14NO+
MOLECULAR WEIGHT: 152.21356
SMILES: COC1=CC=CC=C1CC[NH3+]
Structure:
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