CAS RN: 4233-62-9
CAS Name: (2S)-3-(1-benzotriazolyl)-2-methylpropanoate
OPENEYE Name: (2S)-3-(benzotriazol-1-yl)-2-methyl-propanoate
IUPAC Name: (2S)-3-(benzotriazol-1-yl)-2-methylpropanoate
SYSTEMATIC NAME: (2S)-3-(benzotriazol-1-yl)-2-methyl-propanoate
MOLECULAR FORMULA: C10H10N3O2-
MOLECULAR WEIGHT: 204.2053
SMILES: C[C@@H](CN1C2=CC=CC=C2N=N1)C(=O)[O-]
Structure:
CAS RN: 219897-35-5
CAS Name: [(R)-(2-hydroxy-1-naphthalenyl)-phenylmethyl]ammonium
OPENEYE Name: [(R)-(2-hydroxy-1-naphthyl)-phenyl-methyl]ammonium
IUPAC Name: [(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]azanium
SYSTEMATIC NAME: [(R)-(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]azanium
MOLECULAR FORMULA: C17H16NO+
MOLECULAR WEIGHT: 250.31504
SMILES: C1=CC=C(C=C1)[C@H](C2=C(C=CC3=CC=CC=C32)O)[NH3+]
Structure:
CAS RN: 219897-38-8
CAS Name: [(S)-(2-hydroxy-1-naphthalenyl)-phenylmethyl]ammonium
OPENEYE Name: [(S)-(2-hydroxy-1-naphthyl)-phenyl-methyl]ammonium
IUPAC Name: [(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]azanium
SYSTEMATIC NAME: [(S)-(2-oxidanylnaphthalen-1-yl)-phenyl-methyl]azanium
MOLECULAR FORMULA: C17H16NO+
MOLECULAR WEIGHT: 250.31504
SMILES: C1=CC=C(C=C1)[C@@H](C2=C(C=CC3=CC=CC=C32)O)[NH3+]
Structure:
CAS RN: 81242-27-5
CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylate
OPENEYE Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
IUPAC Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C12H14NO5S-
MOLECULAR WEIGHT: 284.30826
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-]
Structure:
CAS RN: 81242-27-5
CAS Name: (2R)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylate
OPENEYE Name: (2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
IUPAC Name: (2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: (2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C12H14NO5S-
MOLECULAR WEIGHT: 284.30826
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)[O-]
Structure:
CAS RN: 68377-65-1
CAS Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate
OPENEYE Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate
IUPAC Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate
SYSTEMATIC NAME: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C13H18NO5S-
MOLECULAR WEIGHT: 300.35072
SMILES: CC(C)C[C@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 68377-65-1
CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate
OPENEYE Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate
IUPAC Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate
SYSTEMATIC NAME: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-pentanoate
MOLECULAR FORMULA: C13H18NO5S-
MOLECULAR WEIGHT: 300.35072
SMILES: CC(C)C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 436099-98-8
CAS Name: (2-methoxyphenyl)methyl-[(2R)-1-methoxypropan-2-yl]ammonium
OPENEYE Name: [(1R)-2-methoxy-1-methyl-ethyl]-[(2-methoxyphenyl)methyl]ammonium
IUPAC Name: (2-methoxyphenyl)methyl-[(2R)-1-methoxypropan-2-yl]azanium
SYSTEMATIC NAME: (2-methoxyphenyl)methyl-[(2R)-1-methoxypropan-2-yl]azanium
MOLECULAR FORMULA: C12H20NO2+
MOLECULAR WEIGHT: 210.2927
SMILES: C[C@H](COC)[NH2+]CC1=CC=CC=C1OC
Structure:
CAS RN: 436099-98-8
CAS Name: (2-methoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]ammonium
OPENEYE Name: [(1S)-2-methoxy-1-methyl-ethyl]-[(2-methoxyphenyl)methyl]ammonium
IUPAC Name: (2-methoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
SYSTEMATIC NAME: (2-methoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
MOLECULAR FORMULA: C12H20NO2+
MOLECULAR WEIGHT: 210.2927
SMILES: C[C@@H](COC)[NH2+]CC1=CC=CC=C1OC
Structure:
CAS RN: 412298-86-3
CAS Name: 2-[(3R)-5,5-dimethyl-2-oxo-3-oxolanyl]acetate
OPENEYE Name: 2-[(3R)-5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]acetate
IUPAC Name: 2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]acetate
SYSTEMATIC NAME: 2-[(3R)-5,5-dimethyl-2-oxidanylidene-oxolan-3-yl]ethanoate
MOLECULAR FORMULA: C8H11O4-
MOLECULAR WEIGHT: 171.17054
SMILES: CC1(C[C@@H](C(=O)O1)CC(=O)[O-])C
Structure:
CAS RN: 412298-86-3
CAS Name: 2-[(3S)-5,5-dimethyl-2-oxo-3-oxolanyl]acetate
OPENEYE Name: 2-[(3S)-5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]acetate
IUPAC Name: 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetate
SYSTEMATIC NAME: 2-[(3S)-5,5-dimethyl-2-oxidanylidene-oxolan-3-yl]ethanoate
MOLECULAR FORMULA: C8H11O4-
MOLECULAR WEIGHT: 171.17054
SMILES: CC1(C[C@H](C(=O)O1)CC(=O)[O-])C
Structure:
CAS RN: 121582-66-9
CAS Name: 1-(2,4-dichlorophenyl)-6-hydroxy-4-oxo-3-pyridazinecarboxylate
OPENEYE Name: 1-(2,4-dichlorophenyl)-6-hydroxy-4-oxo-pyridazine-3-carboxylate
IUPAC Name: 1-(2,4-dichlorophenyl)-6-hydroxy-4-oxopyridazine-3-carboxylate
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-6-oxidanyl-4-oxidanylidene-pyridazine-3-carboxylate
MOLECULAR FORMULA: C11H5Cl2N2O4-
MOLECULAR WEIGHT: 300.0744
SMILES: C1=CC(=C(C=C1Cl)Cl)N2C(=CC(=O)C(=N2)C(=O)[O-])O
Structure:
CAS RN: 5841-66-7
CAS Name: (5S)-3-methyl-5-phenyloxazolidine-2,4-dione
OPENEYE Name: (5S)-3-methyl-5-phenyl-oxazolidine-2,4-dione
IUPAC Name: (5S)-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CN1C(=O)[C@@H](OC1=O)C2=CC=CC=C2
Structure:
CAS RN: 5841-66-7
CAS Name: (5R)-3-methyl-5-phenyloxazolidine-2,4-dione
OPENEYE Name: (5R)-3-methyl-5-phenyl-oxazolidine-2,4-dione
IUPAC Name: (5R)-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
SYSTEMATIC NAME: (5R)-3-methyl-5-phenyl-1,3-oxazolidine-2,4-dione
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CN1C(=O)[C@H](OC1=O)C2=CC=CC=C2
Structure:
CAS RN: 103929-53-9
CAS Name: (3R)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-6-methyl-3-oxidanyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@](C2=O)(C3=CC=CC=C3)O
Structure:
CAS RN: 103929-53-9
CAS Name: (3S)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3-hydroxy-6-methyl-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-6-methyl-3-oxidanyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@](C2=O)(C3=CC=CC=C3)O
Structure:
CAS RN: 385400-96-4
CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[[2-furanyl(oxo)methyl]amino]propanoate
OPENEYE Name: (3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
IUPAC Name: (3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SYSTEMATIC NAME: (3S)-3-(4-ethoxyphenyl)-3-(furan-2-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C16H16NO5-
MOLECULAR WEIGHT: 302.30194
SMILES: CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC=CO2
Structure:
CAS RN: 385400-96-4
CAS Name: (3R)-3-(4-ethoxyphenyl)-3-[[2-furanyl(oxo)methyl]amino]propanoate
OPENEYE Name: (3R)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
IUPAC Name: (3R)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SYSTEMATIC NAME: (3R)-3-(4-ethoxyphenyl)-3-(furan-2-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C16H16NO5-
MOLECULAR WEIGHT: 302.30194
SMILES: CCOC1=CC=C(C=C1)[C@@H](CC(=O)[O-])NC(=O)C2=CC=CO2
Structure:
CAS RN: 10250-66-5
CAS Name: 3-[[anilino(oxo)methyl]amino]propanoate
OPENEYE Name: 3-(phenylcarbamoylamino)propanoate
IUPAC Name: 3-(phenylcarbamoylamino)propanoate
SYSTEMATIC NAME: 3-(phenylcarbamoylamino)propanoate
MOLECULAR FORMULA: C10H11N2O3-
MOLECULAR WEIGHT: 207.20594
SMILES: C1=CC=C(C=C1)NC(=O)NCCC(=O)[O-]
Structure:
CAS RN: 106058-86-0
CAS Name: 1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylate
OPENEYE Name: 1-(p-tolylsulfonyl)pyrrole-3-carboxylate
IUPAC Name: 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate
MOLECULAR FORMULA: C12H10NO4S-
MOLECULAR WEIGHT: 264.2771
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)[O-]
Structure:
CAS RN: 6437-85-0
CAS Name: (3R)-3-phenoxy-2-butanone
OPENEYE Name: (3R)-3-phenoxybutan-2-one
IUPAC Name: (3R)-3-phenoxybutan-2-one
SYSTEMATIC NAME: (3R)-3-phenoxybutan-2-one
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C[C@H](C(=O)C)OC1=CC=CC=C1
Structure:
CAS RN: 6437-85-0
CAS Name: (3S)-3-phenoxy-2-butanone
OPENEYE Name: (3S)-3-phenoxybutan-2-one
IUPAC Name: (3S)-3-phenoxybutan-2-one
SYSTEMATIC NAME: (3S)-3-phenoxybutan-2-one
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C[C@@H](C(=O)C)OC1=CC=CC=C1
Structure:
CAS RN: 405-85-6
CAS Name: 4-[(3-fluorophenyl)methoxy]benzoate
OPENEYE Name: 4-[(3-fluorophenyl)methoxy]benzoate
IUPAC Name: 4-[(3-fluorophenyl)methoxy]benzoate
SYSTEMATIC NAME: 4-[(3-fluorophenyl)methoxy]benzoate
MOLECULAR FORMULA: C14H10FO3-
MOLECULAR WEIGHT: 245.225803
SMILES: C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 40469-87-2
CAS Name: (3R,4R)-3-ammonio-4-methylhexanoate
OPENEYE Name: (3R,4R)-3-azaniumyl-4-methyl-hexanoate
IUPAC Name: (3R,4R)-3-azaniumyl-4-methylhexanoate
SYSTEMATIC NAME: (3R,4R)-3-azaniumyl-4-methyl-hexanoate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC[C@@H](C)[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 91298-67-8
CAS Name: (3R)-3-amino-5-methylhexanoic acid
OPENEYE Name: (3R)-3-amino-5-methyl-hexanoic acid
IUPAC Name: (3R)-3-amino-5-methylhexanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-5-methyl-hexanoic acid
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)C[C@H](CC(=O)O)N
Structure:
CAS RN: 3653-34-7
CAS Name: (3R)-3-ammonio-5-methylhexanoate
OPENEYE Name: (3R)-3-azaniumyl-5-methyl-hexanoate
IUPAC Name: (3R)-3-azaniumyl-5-methylhexanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-5-methyl-hexanoate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)C[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 3653-34-7
CAS Name: (3S)-3-ammonio-5-methylhexanoate
OPENEYE Name: (3S)-3-azaniumyl-5-methyl-hexanoate
IUPAC Name: (3S)-3-azaniumyl-5-methylhexanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-5-methyl-hexanoate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CC(C)C[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 26049-12-7
CAS Name: (3S)-3-ammonio-3-(3-hydroxyphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC(=CC(=C1)O)[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 26049-12-7
CAS Name: (3R)-3-ammonio-3-(3-hydroxyphenyl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(3-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC(=CC(=C1)O)[C@@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 3310-99-4
CAS Name: (3S)-3-ammonio-3-(3-thiophenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(3-thienyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-thiophen-3-ylpropanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-thiophen-3-yl-propanoate
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: C1=CSC=C1[C@H](CC(=O)[O-])[NH3+]
Structure:
CAS RN: 6049-54-3
CAS Name: (3S)-3-ammonio-3-(4-hydroxyphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC(=CC=C1[C@H](CC(=O)[O-])[NH3+])O
Structure:
CAS RN: 6049-54-3
CAS Name: (3R)-3-ammonio-3-(4-hydroxyphenyl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(4-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC(=CC=C1[C@@H](CC(=O)[O-])[NH3+])O
Structure:
CAS RN: 96017-10-6
CAS Name: (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
OPENEYE Name: (2R)-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoate
IUPAC Name: (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
SYSTEMATIC NAME: (2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoate
MOLECULAR FORMULA: C17H14NO3-
MOLECULAR WEIGHT: 280.29796
SMILES: C1C2=CC=CC=C2C(=O)N1[C@H](CC3=CC=CC=C3)C(=O)[O-]
Structure:
CAS RN: 96017-10-6
CAS Name: (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
OPENEYE Name: (2S)-2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoate
IUPAC Name: (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
SYSTEMATIC NAME: (2S)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoate
MOLECULAR FORMULA: C17H14NO3-
MOLECULAR WEIGHT: 280.29796
SMILES: C1C2=CC=CC=C2C(=O)N1[C@@H](CC3=CC=CC=C3)C(=O)[O-]
Structure:
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