CAS RN: 436811-20-0
CAS Name: (3R)-2-[(4-methylphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
OPENEYE Name: (3R)-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
IUPAC Name: (3R)-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
SYSTEMATIC NAME: (3R)-2-(4-methylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
MOLECULAR FORMULA: C18H16NO3-
MOLECULAR WEIGHT: 294.32454
SMILES: CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]
Structure:
CAS RN: 310451-86-6
CAS Name: 2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C18H17N2O2+
MOLECULAR WEIGHT: 293.33978
SMILES: C1C[NH2+][C@H](C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 310451-86-6
CAS Name: 2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
OPENEYE Name: 2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindoline-1,3-dione
IUPAC Name: 2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C18H17N2O2+
MOLECULAR WEIGHT: 293.33978
SMILES: C1C[NH2+][C@@H](C2=CC=CC=C21)CN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 68254-08-0
CAS Name: 6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxylate
OPENEYE Name: 6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxylate
IUPAC Name: 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SYSTEMATIC NAME: 6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxylate
MOLECULAR FORMULA: C12H9N2O3-
MOLECULAR WEIGHT: 229.21146
SMILES: CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 346644-26-6
CAS Name: (3S)-1-[4-(dimethylamino)phenyl]-5-oxo-3-pyrrolidinecarboxylate
OPENEYE Name: (3S)-1-[4-(dimethylamino)phenyl]-5-oxo-pyrrolidine-3-carboxylate
IUPAC Name: (3S)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: (3S)-1-[4-(dimethylamino)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C13H15N2O3-
MOLECULAR WEIGHT: 247.2698
SMILES: CN(C)C1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)[O-]
Structure:
CAS RN: 4393-16-2
CAS Name: (4-methylsulfonylphenyl)methylammonium
OPENEYE Name: (4-methylsulfonylphenyl)methylammonium
IUPAC Name: (4-methylsulfonylphenyl)methylazanium
SYSTEMATIC NAME: (4-methylsulfonylphenyl)methylazanium
MOLECULAR FORMULA: C8H12NO2S+
MOLECULAR WEIGHT: 186.25138
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C[NH3+]
Structure:
CAS RN: 205985-92-8
CAS Name: (2S,4S)-2-ethyl-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2S,4S)-2-ethylthiazolidin-3-ium-4-carboxylate
IUPAC Name: (2S,4S)-2-ethyl-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2S,4S)-2-ethyl-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C6H11NO2S
MOLECULAR WEIGHT: 161.22204
SMILES: CC[C@H]1[NH2+][C@H](CS1)C(=O)[O-]
Structure:
CAS RN: 4726-96-9
CAS Name: (2S)-2-ammonio-3-phenylmethoxypropanoate
OPENEYE Name: (2S)-2-azaniumyl-3-benzyloxy-propanoate
IUPAC Name: (2S)-2-azaniumyl-3-phenylmethoxypropanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-phenylmethoxy-propanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: C1=CC=C(C=C1)COC[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 5928-51-8
CAS Name: 3-thiophen-2-ylpropanoate
OPENEYE Name: 3-(2-thienyl)propanoate
IUPAC Name: 3-thiophen-2-ylpropanoate
SYSTEMATIC NAME: 3-thiophen-2-ylpropanoate
MOLECULAR FORMULA: C7H7O2S-
MOLECULAR WEIGHT: 155.19428
SMILES: C1=CSC(=C1)CCC(=O)[O-]
Structure:
CAS RN: 360573-13-3
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]propanoate
OPENEYE Name: (2R)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
SYSTEMATIC NAME: (2R)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-yl)carbonylamino]propanoate
MOLECULAR FORMULA: C17H15N2O4-
MOLECULAR WEIGHT: 311.312
SMILES: CC1=CC=C(O1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]
Structure:
CAS RN: 360573-13-3
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]propanoate
OPENEYE Name: (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-carbonyl)amino]propanoate
SYSTEMATIC NAME: (2S)-3-(1H-indol-3-yl)-2-[(5-methylfuran-2-yl)carbonylamino]propanoate
MOLECULAR FORMULA: C17H15N2O4-
MOLECULAR WEIGHT: 311.312
SMILES: CC1=CC=C(O1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]
Structure:
CAS RN: 325146-19-8
CAS Name: (3S)-8-methyl-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-8-methyl-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-8-methyl-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-8-methyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: CC1=CC=CC2=C1NC(=O)[C@H](C2=O)C3=CC=CC=C3
Structure:
CAS RN: 73096-42-1
CAS Name: 5-(2-bromophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
OPENEYE Name: 5-(2-bromophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
IUPAC Name: 5-(2-bromophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SYSTEMATIC NAME: 5-(2-bromophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
MOLECULAR FORMULA: C7H4BrN4-
MOLECULAR WEIGHT: 224.03746
SMILES: C1=CC=C(C(=C1)C2=NN=N[N-]2)Br
Structure:
CAS RN: 53055-16-6
CAS Name: (4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
OPENEYE Name: (4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
IUPAC Name: (4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: (4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C15H12N4O2
MOLECULAR WEIGHT: 280.28138
SMILES: CC1=NC(=C([C@H](C1C#N)C2=CC=CC=C2[N+](=O)[O-])C#N)C
Structure:
CAS RN: 17403-09-7
CAS Name: 3-(4-piperidin-1-iumyl)-1H-indole
OPENEYE Name: 3-piperidin-1-ium-4-yl-1H-indole
IUPAC Name: 3-piperidin-1-ium-4-yl-1H-indole
SYSTEMATIC NAME: 3-piperidin-1-ium-4-yl-1H-indole
MOLECULAR FORMULA: C13H17N2+
MOLECULAR WEIGHT: 201.28748
SMILES: C1C[NH2+]CCC1C2=CNC3=CC=CC=C32
Structure:
CAS RN: 60712-47-2
CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
OPENEYE Name: (2R)-2-phenyl-2-(p-tolylsulfonylamino)acetate
IUPAC Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SYSTEMATIC NAME: (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H14NO4S-
MOLECULAR WEIGHT: 304.34096
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 60712-47-2
CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
OPENEYE Name: (2S)-2-phenyl-2-(p-tolylsulfonylamino)acetate
IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
SYSTEMATIC NAME: (2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H14NO4S-
MOLECULAR WEIGHT: 304.34096
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 153-94-6
CAS Name: (2R)-2-ammonio-3-(1H-indol-3-yl)propanoate
OPENEYE Name: (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
IUPAC Name: (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: (2R)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 73-22-3
CAS Name: (2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
OPENEYE Name: (2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
IUPAC Name: (2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])[NH3+]
Structure:
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