CAS RN: 16555-77-4
CAS Name: (2S)-2-benzamido-2-hydroxyacetate
OPENEYE Name: (2S)-2-benzamido-2-hydroxy-acetate
IUPAC Name: (2S)-2-benzamido-2-hydroxyacetate
SYSTEMATIC NAME: (2S)-2-benzamido-2-oxidanyl-ethanoate
MOLECULAR FORMULA: C9H8NO4-
MOLECULAR WEIGHT: 194.16412
SMILES: C1=CC=C(C=C1)C(=O)N[C@H](C(=O)[O-])O
Structure:
CAS RN: 16555-77-4
CAS Name: (2R)-2-benzamido-2-hydroxyacetate
OPENEYE Name: (2R)-2-benzamido-2-hydroxy-acetate
IUPAC Name: (2R)-2-benzamido-2-hydroxyacetate
SYSTEMATIC NAME: (2R)-2-benzamido-2-oxidanyl-ethanoate
MOLECULAR FORMULA: C9H8NO4-
MOLECULAR WEIGHT: 194.16412
SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](C(=O)[O-])O
Structure:
CAS RN: 351-35-9
CAS Name: 2-[3-(trifluoromethyl)phenyl]acetate
OPENEYE Name: 2-[3-(trifluoromethyl)phenyl]acetate
IUPAC Name: 2-[3-(trifluoromethyl)phenyl]acetate
SYSTEMATIC NAME: 2-[3-(trifluoromethyl)phenyl]ethanoate
MOLECULAR FORMULA: C9H6F3O2-
MOLECULAR WEIGHT: 203.13795
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CC(=O)[O-]
Structure:
CAS RN: 117-57-7
CAS Name: 3-hydroxy-2-methyl-4-quinolinecarboxylate
OPENEYE Name: 3-hydroxy-2-methyl-quinoline-4-carboxylate
IUPAC Name: 3-hydroxy-2-methylquinoline-4-carboxylate
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C11H8NO3-
MOLECULAR WEIGHT: 202.18612
SMILES: CC1=NC2=CC=CC=C2C(=C1O)C(=O)[O-]
Structure:
CAS RN: 5993-91-9
CAS Name: 1H-benzimidazol-2-ylmethylammonium
OPENEYE Name: 1H-benzimidazol-2-ylmethylammonium
IUPAC Name: 1H-benzimidazol-2-ylmethylazanium
SYSTEMATIC NAME: 1H-benzimidazol-2-ylmethylazanium
MOLECULAR FORMULA: C8H10N3+
MOLECULAR WEIGHT: 148.1851
SMILES: C1=CC=C2C(=C1)NC(=N2)C[NH3+]
Structure:
CAS RN: 52031-05-7
CAS Name: [(2S)-3-(4-chlorophenyl)-1-ethoxy-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1S)-1-[(4-chlorophenyl)methyl]-2-ethoxy-2-oxo-ethyl]ammonium
IUPAC Name: [(2S)-3-(4-chlorophenyl)-1-ethoxy-1-oxopropan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-3-(4-chlorophenyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]azanium
MOLECULAR FORMULA: C11H15ClNO2+
MOLECULAR WEIGHT: 228.6953
SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)Cl)[NH3+]
Structure:
CAS RN: 52031-05-7
CAS Name: [(2R)-3-(4-chlorophenyl)-1-ethoxy-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1R)-1-[(4-chlorophenyl)methyl]-2-ethoxy-2-oxo-ethyl]ammonium
IUPAC Name: [(2R)-3-(4-chlorophenyl)-1-ethoxy-1-oxopropan-2-yl]azanium
SYSTEMATIC NAME: [(2R)-3-(4-chlorophenyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]azanium
MOLECULAR FORMULA: C11H15ClNO2+
MOLECULAR WEIGHT: 228.6953
SMILES: CCOC(=O)[C@@H](CC1=CC=C(C=C1)Cl)[NH3+]
Structure:
CAS RN: 4727-72-4
CAS Name: 1-(phenylmethyl)-4-piperidin-1-iumol
OPENEYE Name: 1-benzylpiperidin-1-ium-4-ol
IUPAC Name: 1-benzylpiperidin-1-ium-4-ol
SYSTEMATIC NAME: 1-(phenylmethyl)piperidin-1-ium-4-ol
MOLECULAR FORMULA: C12H18NO+
MOLECULAR WEIGHT: 192.27742
SMILES: C1C[NH+](CCC1O)CC2=CC=CC=C2
Structure:
CAS RN: 5720-26-3
CAS Name: 2-(3,4,5-trihydroxyphenyl)ethylammonium
OPENEYE Name: 2-(3,4,5-trihydroxyphenyl)ethylammonium
IUPAC Name: 2-(3,4,5-trihydroxyphenyl)ethylazanium
SYSTEMATIC NAME: 2-[3,4,5-tris(oxidanyl)phenyl]ethylazanium
MOLECULAR FORMULA: C8H12NO3+
MOLECULAR WEIGHT: 170.18578
SMILES: C1=C(C=C(C(=C1O)O)O)CC[NH3+]
Structure:
CAS RN: 61826-55-9
CAS Name: 2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetate
OPENEYE Name: 2-[(1S,3S)-3-acetyl-2,2-dimethyl-cyclobutyl]acetate
IUPAC Name: 2-[(1S,3S)-3-acetyl-2,2-dimethylcyclobutyl]acetate
SYSTEMATIC NAME: 2-[(1S,3S)-3-ethanoyl-2,2-dimethyl-cyclobutyl]ethanoate
MOLECULAR FORMULA: C10H15O3-
MOLECULAR WEIGHT: 183.2243
SMILES: CC(=O)[C@H]1C[C@H](C1(C)C)CC(=O)[O-]
Structure:
CAS RN: 1204-75-7
CAS Name: 3-oxo-4H-quinoxaline-2-carboxylate
OPENEYE Name: 3-oxo-4H-quinoxaline-2-carboxylate
IUPAC Name: 3-oxo-4H-quinoxaline-2-carboxylate
SYSTEMATIC NAME: 3-oxidanylidene-4H-quinoxaline-2-carboxylate
MOLECULAR FORMULA: C9H5N2O3-
MOLECULAR WEIGHT: 189.1476
SMILES: C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)[O-]
Structure:
CAS RN: 1647-94-5
CAS Name: (3R)-3-benzamido-3-(4-fluorophenyl)propanoate
OPENEYE Name: (3R)-3-benzamido-3-(4-fluorophenyl)propanoate
IUPAC Name: (3R)-3-benzamido-3-(4-fluorophenyl)propanoate
SYSTEMATIC NAME: (3R)-3-benzamido-3-(4-fluorophenyl)propanoate
MOLECULAR FORMULA: C16H13FNO3-
MOLECULAR WEIGHT: 286.277723
SMILES: C1=CC=C(C=C1)C(=O)N[C@H](CC(=O)[O-])C2=CC=C(C=C2)F
Structure:
CAS RN: 1647-94-5
CAS Name: (3S)-3-benzamido-3-(4-fluorophenyl)propanoate
OPENEYE Name: (3S)-3-benzamido-3-(4-fluorophenyl)propanoate
IUPAC Name: (3S)-3-benzamido-3-(4-fluorophenyl)propanoate
SYSTEMATIC NAME: (3S)-3-benzamido-3-(4-fluorophenyl)propanoate
MOLECULAR FORMULA: C16H13FNO3-
MOLECULAR WEIGHT: 286.277723
SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(C=C2)F
Structure:
CAS RN: 23009-97-4
CAS Name: (2R)-2-[(1-oxo-2-phenoxyethyl)amino]propanoate
OPENEYE Name: (2R)-2-[(2-phenoxyacetyl)amino]propanoate
IUPAC Name: (2R)-2-[(2-phenoxyacetyl)amino]propanoate
SYSTEMATIC NAME: (2R)-2-(2-phenoxyethanoylamino)propanoate
MOLECULAR FORMULA: C11H12NO4-
MOLECULAR WEIGHT: 222.21728
SMILES: C[C@H](C(=O)[O-])NC(=O)COC1=CC=CC=C1
Structure:
CAS RN: 59724-70-8
CAS Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
OPENEYE Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
IUPAC Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C9H9ClNO4S-
MOLECULAR WEIGHT: 262.69006
SMILES: C[C@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 59724-70-8
CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
OPENEYE Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
IUPAC Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C9H9ClNO4S-
MOLECULAR WEIGHT: 262.69006
SMILES: C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 2629-54-1
CAS Name: (2R)-2-ammonio-3-(3-fluorophenyl)propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-(3-fluorophenyl)propanoate
IUPAC Name: (2R)-2-azaniumyl-3-(3-fluorophenyl)propanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-(3-fluorophenyl)propanoate
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC(=C1)F)C[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 2629-54-1
CAS Name: (2S)-2-ammonio-3-(3-fluorophenyl)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-(3-fluorophenyl)propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(3-fluorophenyl)propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-(3-fluorophenyl)propanoate
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC(=C1)F)C[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 21278-86-4
CAS Name: 2-pyridin-4-yl-4-thiazolecarboxylate
OPENEYE Name: 2-(4-pyridyl)thiazole-4-carboxylate
IUPAC Name: 2-pyridin-4-yl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: 2-pyridin-4-yl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C9H5N2O2S-
MOLECULAR WEIGHT: 205.2132
SMILES: C1=CN=CC=C1C2=NC(=CS2)C(=O)[O-]
Structure:
CAS RN: 261178-24-9
CAS Name: [2-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]methanol
OPENEYE Name: [2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methanol
IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)phenyl]methanol
SYSTEMATIC NAME: [2-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]methanol
MOLECULAR FORMULA: C18H23N2O+
MOLECULAR WEIGHT: 283.38802
SMILES: C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC=C3CO
Structure:
CAS RN: 68208-19-5
CAS Name: (3S)-3-ammonio-3-(3-methoxyphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(3-methoxyphenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(3-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(3-methoxyphenyl)propanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: COC1=CC=CC(=C1)[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 365-12-8
CAS Name: 4-(2-fluorophenyl)benzoate
OPENEYE Name: 4-(2-fluorophenyl)benzoate
IUPAC Name: 4-(2-fluorophenyl)benzoate
SYSTEMATIC NAME: 4-(2-fluorophenyl)benzoate
MOLECULAR FORMULA: C13H8FO2-
MOLECULAR WEIGHT: 215.199823
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)[O-])F
Structure:
CAS RN: 20811-60-3
CAS Name: 3-(4-methoxyphenoxy)propanoate
OPENEYE Name: 3-(4-methoxyphenoxy)propanoate
IUPAC Name: 3-(4-methoxyphenoxy)propanoate
SYSTEMATIC NAME: 3-(4-methoxyphenoxy)propanoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: COC1=CC=C(C=C1)OCCC(=O)[O-]
Structure:
CAS RN: 5027-78-1
CAS Name: [(2S)-2-(1H-indol-3-yl)-2-phenylethyl]ammonium
OPENEYE Name: [(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]ammonium
IUPAC Name: [(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
SYSTEMATIC NAME: [(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]azanium
MOLECULAR FORMULA: C16H17N2+
MOLECULAR WEIGHT: 237.31958
SMILES: C1=CC=C(C=C1)[C@H](C[NH3+])C2=CNC3=CC=CC=C32
Structure:
CAS RN: 5027-78-1
CAS Name: [(2R)-2-(1H-indol-3-yl)-2-phenylethyl]ammonium
OPENEYE Name: [(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]ammonium
IUPAC Name: [(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
SYSTEMATIC NAME: [(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]azanium
MOLECULAR FORMULA: C16H17N2+
MOLECULAR WEIGHT: 237.31958
SMILES: C1=CC=C(C=C1)[C@@H](C[NH3+])C2=CNC3=CC=CC=C32
Structure:
CAS RN: 117918-58-8
CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylate
OPENEYE Name: (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
IUPAC Name: (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2S)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C10H10NO3S-
MOLECULAR WEIGHT: 224.2563
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)[O-]
Structure:
CAS RN: 117918-58-8
CAS Name: (2R)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylate
OPENEYE Name: (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
IUPAC Name: (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2R)-1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C10H10NO3S-
MOLECULAR WEIGHT: 224.2563
SMILES: C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)[O-]
Structure:
CAS RN: 14670-94-1
CAS Name: (3R,5S)-3,5-dimethyl-1-adamantanecarboxylate
OPENEYE Name: (3R,5S)-3,5-dimethyladamantane-1-carboxylate
IUPAC Name: (3R,5S)-3,5-dimethyladamantane-1-carboxylate
SYSTEMATIC NAME: (3R,5S)-3,5-dimethyladamantane-1-carboxylate
MOLECULAR FORMULA: C13H19O2-
MOLECULAR WEIGHT: 207.28876
SMILES: C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)[O-])C
Structure:
CAS RN: 6240-00-2
CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylate
OPENEYE Name: (5S,7R)-3-acetamidoadamantane-1-carboxylate
IUPAC Name: (5S,7R)-3-acetamidoadamantane-1-carboxylate
SYSTEMATIC NAME: (5S,7R)-3-acetamidoadamantane-1-carboxylate
MOLECULAR FORMULA: C13H18NO3-
MOLECULAR WEIGHT: 236.28692
SMILES: CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)[O-]
Structure:
CAS RN: 1164-16-5
CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
OPENEYE Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C17H16NO5-
MOLECULAR WEIGHT: 314.31264
SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]
Structure:
CAS RN: 6404-31-5
CAS Name: (2R)-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylate
OPENEYE Name: (2R)-1-benzyloxycarbonylpyrrolidine-2-carboxylate
IUPAC Name: (2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2R)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C13H14NO4-
MOLECULAR WEIGHT: 248.25456
SMILES: C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 41220-48-8
CAS Name: (3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
OPENEYE Name: (3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
IUPAC Name: (3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
SYSTEMATIC NAME: (3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)[O-]
Structure:
CAS RN: 3182-93-2
CAS Name: [(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]ammonium
OPENEYE Name: [(1S)-1-benzyl-2-ethoxy-2-oxo-ethyl]ammonium
IUPAC Name: [(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C11H16NO2+
MOLECULAR WEIGHT: 194.25024
SMILES: CCOC(=O)[C@H](CC1=CC=CC=C1)[NH3+]
Structure:
CAS RN: 22204-53-1
CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoate
OPENEYE Name: (2S)-2-(6-methoxy-2-naphthyl)propanoate
IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SYSTEMATIC NAME: (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
MOLECULAR FORMULA: C14H13O3-
MOLECULAR WEIGHT: 229.25122
SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]
Structure:
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