CAS RN: 15887-84-0
CAS Name: 2-[(4-chlorophenyl)methylthio]benzoate
OPENEYE Name: 2-[(4-chlorophenyl)methylsulfanyl]benzoate
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]benzoate
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]benzoate
MOLECULAR FORMULA: C14H10ClO2S-
MOLECULAR WEIGHT: 277.746
SMILES: C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 38791-92-3
CAS Name: 4-[[(2S)-2-oxiranyl]methoxy]benzonitrile
OPENEYE Name: 4-[[(2S)-oxiran-2-yl]methoxy]benzonitrile
IUPAC Name: 4-[[(2S)-oxiran-2-yl]methoxy]benzonitrile
SYSTEMATIC NAME: 4-[[(2S)-oxiran-2-yl]methoxy]benzenecarbonitrile
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1[C@H](O1)COC2=CC=C(C=C2)C#N
Structure:
CAS RN: 38791-92-3
CAS Name: 4-[[(2R)-2-oxiranyl]methoxy]benzonitrile
OPENEYE Name: 4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
IUPAC Name: 4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
SYSTEMATIC NAME: 4-[[(2R)-oxiran-2-yl]methoxy]benzenecarbonitrile
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: C1[C@@H](O1)COC2=CC=C(C=C2)C#N
Structure:
CAS RN: 117391-50-1
CAS Name: (3S)-3-ammonio-3-(3-bromophenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(3-bromophenyl)propanoate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC(=C1)Br)[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 117391-50-1
CAS Name: (3R)-3-ammonio-3-(3-bromophenyl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(3-bromophenyl)propanoate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC(=C1)Br)[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 72071-75-1
CAS Name: (3S)-3-ammonio-3-(1,3-benzodioxol-5-yl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 72071-75-1
CAS Name: (3R)-3-ammonio-3-(1,3-benzodioxol-5-yl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 4399-77-3
CAS Name: 1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinecarboxylate
OPENEYE Name: 1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carboxylate
IUPAC Name: 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate
MOLECULAR FORMULA: C13H9ClNO3-
MOLECULAR WEIGHT: 262.66846
SMILES: C1=CC=C(C(=C1)CN2C=C(C=CC2=O)C(=O)[O-])Cl
Structure:
CAS RN: 4417-86-1
CAS Name: (2R)-2,4-dihydroxy-3,3-dimethylbutanamide
OPENEYE Name: (2R)-2,4-dihydroxy-3,3-dimethyl-butanamide
IUPAC Name: (2R)-2,4-dihydroxy-3,3-dimethylbutanamide
SYSTEMATIC NAME: (2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanamide
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CC(C)(CO)[C@H](C(=O)N)O
Structure:
CAS RN: 4417-86-1
CAS Name: (2S)-2,4-dihydroxy-3,3-dimethylbutanamide
OPENEYE Name: (2S)-2,4-dihydroxy-3,3-dimethyl-butanamide
IUPAC Name: (2S)-2,4-dihydroxy-3,3-dimethylbutanamide
SYSTEMATIC NAME: (2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanamide
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CC(C)(CO)[C@@H](C(=O)N)O
Structure:
CAS RN: 21139-31-1
CAS Name: 5-chloro-3-phenyl-1H-indole-2-carboxylate
OPENEYE Name: 5-chloro-3-phenyl-1H-indole-2-carboxylate
IUPAC Name: 5-chloro-3-phenyl-1H-indole-2-carboxylate
SYSTEMATIC NAME: 5-chloranyl-3-phenyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C15H9ClNO2-
MOLECULAR WEIGHT: 270.69046
SMILES: C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-]
Structure:
CAS RN: 24783-42-4
CAS Name: (2S)-2-(6-chloro-2-pyridinyl)-2-phenylacetonitrile
OPENEYE Name: (2S)-2-(6-chloro-2-pyridyl)-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-(6-chloropyridin-2-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-(6-chloranylpyridin-2-yl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C13H9ClN2
MOLECULAR WEIGHT: 228.67696
SMILES: C1=CC=C(C=C1)[C@H](C#N)C2=NC(=CC=C2)Cl
Structure:
CAS RN: 24783-42-4
CAS Name: (2R)-2-(6-chloro-2-pyridinyl)-2-phenylacetonitrile
OPENEYE Name: (2R)-2-(6-chloro-2-pyridyl)-2-phenyl-acetonitrile
IUPAC Name: (2R)-2-(6-chloropyridin-2-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2R)-2-(6-chloranylpyridin-2-yl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C13H9ClN2
MOLECULAR WEIGHT: 228.67696
SMILES: C1=CC=C(C=C1)[C@@H](C#N)C2=NC(=CC=C2)Cl
Structure:
CAS RN: 86602-60-0
CAS Name: (2R)-2-(2-formylphenoxy)butanoic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-(2-formylphenoxy)butanoate
IUPAC Name: ethyl (2R)-2-(2-formylphenoxy)butanoate
SYSTEMATIC NAME: ethyl (2R)-2-(2-methanoylphenoxy)butanoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC[C@H](C(=O)OCC)OC1=CC=CC=C1C=O
Structure:
CAS RN: 86602-60-0
CAS Name: (2S)-2-(2-formylphenoxy)butanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-(2-formylphenoxy)butanoate
IUPAC Name: ethyl (2S)-2-(2-formylphenoxy)butanoate
SYSTEMATIC NAME: ethyl (2S)-2-(2-methanoylphenoxy)butanoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC[C@@H](C(=O)OCC)OC1=CC=CC=C1C=O
Structure:
CAS RN: 104612-36-4
CAS Name: 5-bromo-2-oxo-1H-pyridine-3-carboxylate
OPENEYE Name: 5-bromo-2-oxo-1H-pyridine-3-carboxylate
IUPAC Name: 5-bromo-2-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: 5-bromanyl-2-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C6H3BrNO3-
MOLECULAR WEIGHT: 216.99692
SMILES: C1=C(C(=O)NC=C1Br)C(=O)[O-]
Structure:
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