CAS RN: 6912-86-3
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:
CAS RN: 399-76-8
CAS Name: 5-fluoro-1H-indole-2-carboxylate
OPENEYE Name: 5-fluoro-1H-indole-2-carboxylate
IUPAC Name: 5-fluoro-1H-indole-2-carboxylate
SYSTEMATIC NAME: 5-fluoranyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C9H5FNO2-
MOLECULAR WEIGHT: 178.139903
SMILES: C1=CC2=C(C=C1F)C=C(N2)C(=O)[O-]
Structure:
CAS RN: 139926-23-1
CAS Name: 3-ethoxy-2-thiophenecarboxylate
OPENEYE Name: 3-ethoxythiophene-2-carboxylate
IUPAC Name: 3-ethoxythiophene-2-carboxylate
SYSTEMATIC NAME: 3-ethoxythiophene-2-carboxylate
MOLECULAR FORMULA: C7H7O3S-
MOLECULAR WEIGHT: 171.19368
SMILES: CCOC1=C(SC=C1)C(=O)[O-]
Structure:
CAS RN: 318466-03-4
CAS Name: (2R,4R)-2-(3-methyl-2-thiophenyl)-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2R,4R)-2-(3-methyl-2-thienyl)thiazolidin-3-ium-4-carboxylate
IUPAC Name: (2R,4R)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2R,4R)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C9H11NO2S2
MOLECULAR WEIGHT: 229.31914
SMILES: CC1=C(SC=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-]
Structure:
CAS RN: 318466-03-4
CAS Name: (2S,4R)-2-(3-methyl-2-thiophenyl)-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2S,4R)-2-(3-methyl-2-thienyl)thiazolidin-3-ium-4-carboxylate
IUPAC Name: (2S,4R)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2S,4R)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C9H11NO2S2
MOLECULAR WEIGHT: 229.31914
SMILES: CC1=C(SC=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-]
Structure:
CAS RN: 318466-03-4
CAS Name: (2R,4S)-2-(3-methyl-2-thiophenyl)-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2R,4S)-2-(3-methyl-2-thienyl)thiazolidin-3-ium-4-carboxylate
IUPAC Name: (2R,4S)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2R,4S)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C9H11NO2S2
MOLECULAR WEIGHT: 229.31914
SMILES: CC1=C(SC=C1)[C@@H]2[NH2+][C@H](CS2)C(=O)[O-]
Structure:
CAS RN: 318466-03-4
CAS Name: (2S,4S)-2-(3-methyl-2-thiophenyl)-4-thiazolidin-3-iumcarboxylate
OPENEYE Name: (2S,4S)-2-(3-methyl-2-thienyl)thiazolidin-3-ium-4-carboxylate
IUPAC Name: (2S,4S)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
SYSTEMATIC NAME: (2S,4S)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate
MOLECULAR FORMULA: C9H11NO2S2
MOLECULAR WEIGHT: 229.31914
SMILES: CC1=C(SC=C1)[C@H]2[NH2+][C@H](CS2)C(=O)[O-]
Structure:
CAS RN: 59337-89-2
CAS Name: 3-chloro-2-thiophenecarboxylate
OPENEYE Name: 3-chlorothiophene-2-carboxylate
IUPAC Name: 3-chlorothiophene-2-carboxylate
SYSTEMATIC NAME: 3-chloranylthiophene-2-carboxylate
MOLECULAR FORMULA: C5H2ClO2S-
MOLECULAR WEIGHT: 161.58618
SMILES: C1=CSC(=C1Cl)C(=O)[O-]
Structure:
CAS RN: 132871-11-5
CAS Name: (3R)-3-methyl-1-(phenylmethyl)piperazine
OPENEYE Name: (3R)-1-benzyl-3-methyl-piperazine
IUPAC Name: (3R)-1-benzyl-3-methylpiperazine
SYSTEMATIC NAME: (3R)-3-methyl-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C[C@@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 132871-12-6
CAS Name: (3S)-3-methyl-1-(phenylmethyl)piperazine
OPENEYE Name: (3S)-1-benzyl-3-methyl-piperazine
IUPAC Name: (3S)-1-benzyl-3-methylpiperazine
SYSTEMATIC NAME: (3S)-3-methyl-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C[C@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 93709-67-2
CAS Name: (2R)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]propanoate
OPENEYE Name: (2R)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
IUPAC Name: (2R)-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
SYSTEMATIC NAME: (2R)-2-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoate
MOLECULAR FORMULA: C13H16NO6-
MOLECULAR WEIGHT: 282.26924
SMILES: C[C@H](C(=O)[O-])NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 24221-86-1
CAS Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium
OPENEYE Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium
IUPAC Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SYSTEMATIC NAME: methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C10H16NO+
MOLECULAR WEIGHT: 166.24014
SMILES: C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]C
Structure:
CAS RN: 321-97-1
CAS Name: [(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium
OPENEYE Name: [(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium
IUPAC Name: [(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SYSTEMATIC NAME: methyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C10H16NO+
MOLECULAR WEIGHT: 166.24014
SMILES: C[C@H]([C@@H](C1=CC=CC=C1)O)[NH2+]C
Structure:
CAS RN: 50-98-6
CAS Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium
OPENEYE Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium
IUPAC Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SYSTEMATIC NAME: methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C10H16NO+
MOLECULAR WEIGHT: 166.24014
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH2+]C
Structure:
CAS RN: 19675-63-9
CAS Name: 4-[(E)-2-carboxylatoethenyl]benzoate
OPENEYE Name: 4-[(E)-2-carboxylatovinyl]benzoate
IUPAC Name: 4-[(E)-2-carboxylatoethenyl]benzoate
SYSTEMATIC NAME: 4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate
MOLECULAR FORMULA: C10H6O4-2
MOLECULAR WEIGHT: 190.15224
SMILES: C1=CC(=CC=C1/C=C/C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 436088-35-6
CAS Name: 3-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
OPENEYE Name: 3-[(2R)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
IUPAC Name: 3-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
SYSTEMATIC NAME: 3-[(2R)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
MOLECULAR FORMULA: C18H20NO5-
MOLECULAR WEIGHT: 330.3551
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC(=O)[O-])O)C(=O)C
Structure:
CAS RN: 436088-35-6
CAS Name: 3-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
OPENEYE Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
IUPAC Name: 3-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
SYSTEMATIC NAME: 3-[(2S)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoate
MOLECULAR FORMULA: C18H20NO5-
MOLECULAR WEIGHT: 330.3551
SMILES: CC(C)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC(=O)[O-])O)C(=O)C
Structure:
CAS RN: 436088-34-5
CAS Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
OPENEYE Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
IUPAC Name: 3-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
SYSTEMATIC NAME: 3-[(2S)-3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoate
MOLECULAR FORMULA: C16H16NO6-
MOLECULAR WEIGHT: 318.30134
SMILES: CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)OC)CCC(=O)[O-])O
Structure:
CAS RN: 93709-68-3
CAS Name: (2R)-3-methyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoate
OPENEYE Name: (2R)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
IUPAC Name: (2R)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
SYSTEMATIC NAME: (2R)-3-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate
MOLECULAR FORMULA: C15H20NO6-
MOLECULAR WEIGHT: 310.3224
SMILES: CC(C)[C@H](C(=O)[O-])NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 93709-68-3
CAS Name: (2S)-3-methyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoate
OPENEYE Name: (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
IUPAC Name: (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
SYSTEMATIC NAME: (2S)-3-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate
MOLECULAR FORMULA: C15H20NO6-
MOLECULAR WEIGHT: 310.3224
SMILES: CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 5394-59-2
CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoate
OPENEYE Name: 4-(2,5-dimethylphenyl)-4-oxo-butanoate
IUPAC Name: 4-(2,5-dimethylphenyl)-4-oxobutanoate
SYSTEMATIC NAME: 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C12H13O3-
MOLECULAR WEIGHT: 205.22982
SMILES: CC1=CC(=C(C=C1)C)C(=O)CCC(=O)[O-]
Structure:
CAS RN: 205873-56-9
CAS Name: 3,4-diacetamidobenzoate
OPENEYE Name: 3,4-diacetamidobenzoate
IUPAC Name: 3,4-diacetamidobenzoate
SYSTEMATIC NAME: 3,4-diacetamidobenzoate
MOLECULAR FORMULA: C11H11N2O4-
MOLECULAR WEIGHT: 235.21604
SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C
Structure:
CAS RN: 59490-33-4
CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoate
OPENEYE Name: (2R)-2-[(4-chlorobenzoyl)amino]-3-phenyl-propanoate
IUPAC Name: (2R)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
SYSTEMATIC NAME: (2R)-2-[(4-chlorophenyl)carbonylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C16H13ClNO3-
MOLECULAR WEIGHT: 302.73232
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)[O-])NC(=O)C2=CC=C(C=C2)Cl
Structure:
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