CAS RN: 432001-25-7
CAS Name: (1R,6S)-6-[oxo-(3-pyridinylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6S)-6-(3-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6S)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6S)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C13H13N2O3-
MOLECULAR WEIGHT: 245.25392
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CN=CC=C2)C(=O)[O-]
Structure:
CAS RN: 432001-25-7
CAS Name: (1S,6R)-6-[oxo-(3-pyridinylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6R)-6-(3-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6R)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6R)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C13H13N2O3-
MOLECULAR WEIGHT: 245.25392
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CN=CC=C2)C(=O)[O-]
Structure:
CAS RN: 432001-25-7
CAS Name: (1S,6S)-6-[oxo-(3-pyridinylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6S)-6-(3-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6S)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6S)-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C13H13N2O3-
MOLECULAR WEIGHT: 245.25392
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NC2=CN=CC=C2)C(=O)[O-]
Structure:
CAS RN: 13672-23-6
CAS Name: 2-[(3R)-3-hydroxy-2-oxo-1-(phenylmethyl)-3-indolyl]acetate
OPENEYE Name: 2-[(3R)-1-benzyl-3-hydroxy-2-oxo-indolin-3-yl]acetate
IUPAC Name: 2-[(3R)-1-benzyl-3-hydroxy-2-oxoindol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3R)-3-oxidanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethanoate
MOLECULAR FORMULA: C17H14NO4-
MOLECULAR WEIGHT: 296.29736
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3[C@@](C2=O)(CC(=O)[O-])O
Structure:
CAS RN: 13672-23-6
CAS Name: 2-[(3S)-3-hydroxy-2-oxo-1-(phenylmethyl)-3-indolyl]acetate
OPENEYE Name: 2-[(3S)-1-benzyl-3-hydroxy-2-oxo-indolin-3-yl]acetate
IUPAC Name: 2-[(3S)-1-benzyl-3-hydroxy-2-oxoindol-3-yl]acetate
SYSTEMATIC NAME: 2-[(3S)-3-oxidanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-yl]ethanoate
MOLECULAR FORMULA: C17H14NO4-
MOLECULAR WEIGHT: 296.29736
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)[O-])O
Structure:
CAS RN: 436088-62-9
CAS Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]butanoate
OPENEYE Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
IUPAC Name: (2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
SYSTEMATIC NAME: (2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate
MOLECULAR FORMULA: C8H10N3O3S-
MOLECULAR WEIGHT: 228.2483
SMILES: CC[C@H](C(=O)[O-])SC1=NC(=O)C=C(N1)N
Structure:
CAS RN: 436088-62-9
CAS Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]butanoate
OPENEYE Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
IUPAC Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
SYSTEMATIC NAME: (2S)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate
MOLECULAR FORMULA: C8H10N3O3S-
MOLECULAR WEIGHT: 228.2483
SMILES: CC[C@@H](C(=O)[O-])SC1=NC(=O)C=C(N1)N
Structure:
CAS RN: 63675-25-2
CAS Name: (3R)-5-oxo-1-(2,4,6-trimethylphenyl)-3-pyrrolidinecarboxylate
OPENEYE Name: (3R)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
IUPAC Name: (3R)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
SYSTEMATIC NAME: (3R)-5-oxidanylidene-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C14H16NO3-
MOLECULAR WEIGHT: 246.28174
SMILES: CC1=CC(=C(C(=C1)C)N2C[C@@H](CC2=O)C(=O)[O-])C
Structure:
CAS RN: 63675-25-2
CAS Name: (3S)-5-oxo-1-(2,4,6-trimethylphenyl)-3-pyrrolidinecarboxylate
OPENEYE Name: (3S)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
IUPAC Name: (3S)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
SYSTEMATIC NAME: (3S)-5-oxidanylidene-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C14H16NO3-
MOLECULAR WEIGHT: 246.28174
SMILES: CC1=CC(=C(C(=C1)C)N2C[C@H](CC2=O)C(=O)[O-])C
Structure:
CAS RN: 435345-37-2
CAS Name: cyclohexyl(2-furanylmethyl)ammonium
OPENEYE Name: cyclohexyl(2-furylmethyl)ammonium
IUPAC Name: cyclohexyl(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: cyclohexyl(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C11H18NO+
MOLECULAR WEIGHT: 180.26672
SMILES: C1CCC(CC1)[NH2+]CC2=CC=CO2
Structure:
CAS RN: 86649-59-4
CAS Name: 5-[(dimethylammonio)methyl]-2-furancarboxylate
OPENEYE Name: 5-[(dimethylammonio)methyl]furan-2-carboxylate
IUPAC Name: 5-[(dimethylazaniumyl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: 5-[(dimethylazaniumyl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: C[NH+](C)CC1=CC=C(O1)C(=O)[O-]
Structure:
CAS RN: 436099-81-9
CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-furancarboxylate
OPENEYE Name: 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
SYSTEMATIC NAME: 2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: C1COCC[NH+]1CC2=C(C=CO2)C(=O)[O-]
Structure:
CAS RN: 80789-75-9
CAS Name: 1-(4-methylphenyl)-1-cyclopentanecarboxylate
OPENEYE Name: 1-(p-tolyl)cyclopentanecarboxylate
IUPAC Name: 1-(4-methylphenyl)cyclopentane-1-carboxylate
SYSTEMATIC NAME: 1-(4-methylphenyl)cyclopentane-1-carboxylate
MOLECULAR FORMULA: C13H15O2-
MOLECULAR WEIGHT: 203.257
SMILES: CC1=CC=C(C=C1)C2(CCCC2)C(=O)[O-]
Structure:
CAS RN: 347343-88-8
CAS Name: 3-[bis(2-hydroxyethyl)amino]benzoate
OPENEYE Name: 3-[bis(2-hydroxyethyl)amino]benzoate
IUPAC Name: 3-[bis(2-hydroxyethyl)amino]benzoate
SYSTEMATIC NAME: 3-[bis(2-hydroxyethyl)amino]benzoate
MOLECULAR FORMULA: C11H14NO4-
MOLECULAR WEIGHT: 224.23316
SMILES: C1=CC(=CC(=C1)N(CCO)CCO)C(=O)[O-]
Structure:
CAS RN: 436855-68-4
CAS Name: 3-[(4R)-5-oxo-1-prop-2-enyl-2-sulfanylidene-4-imidazolidinyl]propanoate
OPENEYE Name: 3-[(4R)-1-allyl-5-oxo-2-thioxo-imidazolidin-4-yl]propanoate
IUPAC Name: 3-[(4R)-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]propanoate
SYSTEMATIC NAME: 3-[(4R)-5-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-imidazolidin-4-yl]propanoate
MOLECULAR FORMULA: C9H11N2O3S-
MOLECULAR WEIGHT: 227.26024
SMILES: C=CCN1C(=O)[C@H](NC1=S)CCC(=O)[O-]
Structure:
CAS RN: 39083-58-4
CAS Name: 4-[[(2R)-3-chloro-2-hydroxypropyl]amino]benzoate
OPENEYE Name: 4-[[(2R)-3-chloro-2-hydroxy-propyl]amino]benzoate
IUPAC Name: 4-[[(2R)-3-chloro-2-hydroxypropyl]amino]benzoate
SYSTEMATIC NAME: 4-[[(2R)-3-chloranyl-2-oxidanyl-propyl]amino]benzoate
MOLECULAR FORMULA: C10H11ClNO3-
MOLECULAR WEIGHT: 228.65224
SMILES: C1=CC(=CC=C1C(=O)[O-])NC[C@H](CCl)O
Structure:
CAS RN: 39083-58-4
CAS Name: 4-[[(2S)-3-chloro-2-hydroxypropyl]amino]benzoate
OPENEYE Name: 4-[[(2S)-3-chloro-2-hydroxy-propyl]amino]benzoate
IUPAC Name: 4-[[(2S)-3-chloro-2-hydroxypropyl]amino]benzoate
SYSTEMATIC NAME: 4-[[(2S)-3-chloranyl-2-oxidanyl-propyl]amino]benzoate
MOLECULAR FORMULA: C10H11ClNO3-
MOLECULAR WEIGHT: 228.65224
SMILES: C1=CC(=CC=C1C(=O)[O-])NC[C@@H](CCl)O
Structure:
CAS RN: 408360-05-4
CAS Name: (2S)-3-(4-methylphenyl)sulfonyl-2-thiazolidinecarboxylate
OPENEYE Name: (2S)-3-(p-tolylsulfonyl)thiazolidine-2-carboxylate
IUPAC Name: (2S)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
SYSTEMATIC NAME: (2S)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
MOLECULAR FORMULA: C11H12NO4S2-
MOLECULAR WEIGHT: 286.34728
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCS[C@H]2C(=O)[O-]
Structure:
CAS RN: 408360-05-4
CAS Name: (2R)-3-(4-methylphenyl)sulfonyl-2-thiazolidinecarboxylate
OPENEYE Name: (2R)-3-(p-tolylsulfonyl)thiazolidine-2-carboxylate
IUPAC Name: (2R)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
SYSTEMATIC NAME: (2R)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
MOLECULAR FORMULA: C11H12NO4S2-
MOLECULAR WEIGHT: 286.34728
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCS[C@@H]2C(=O)[O-]
Structure:
CAS RN: 111668-00-9
CAS Name: 2-(1-piperazin-4-iumyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazine
OPENEYE Name: 2-piperazin-4-ium-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
IUPAC Name: 2-piperazin-4-ium-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
SYSTEMATIC NAME: 2-piperazin-4-ium-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
MOLECULAR FORMULA: C15H26N7+
MOLECULAR WEIGHT: 304.41384
SMILES: C1CCN(C1)C2=NC(=NC(=N2)N3CC[NH2+]CC3)N4CCCC4
Structure:
CAS RN: 428841-22-9
CAS Name: (1R,6R)-6-[(cyclohexylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C14H20NO3-
MOLECULAR WEIGHT: 250.3135
SMILES: C1CCC(CC1)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-]
Structure:
CAS RN: 428841-22-9
CAS Name: (1R,6S)-6-[(cyclohexylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C14H20NO3-
MOLECULAR WEIGHT: 250.3135
SMILES: C1CCC(CC1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]
Structure:
CAS RN: 428841-22-9
CAS Name: (1S,6R)-6-[(cyclohexylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6R)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C14H20NO3-
MOLECULAR WEIGHT: 250.3135
SMILES: C1CCC(CC1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-]
Structure:
CAS RN: 428841-22-9
CAS Name: (1S,6S)-6-[(cyclohexylamino)-oxomethyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6S)-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C14H20NO3-
MOLECULAR WEIGHT: 250.3135
SMILES: C1CCC(CC1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-]
Structure:
CAS RN: 325851-59-0
CAS Name: 4-[[(2S)-2-oxolanyl]methylsulfamoyl]benzoate
OPENEYE Name: 4-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoate
IUPAC Name: 4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
SYSTEMATIC NAME: 4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
MOLECULAR FORMULA: C12H14NO5S-
MOLECULAR WEIGHT: 284.30826
SMILES: C1C[C@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 325851-59-0
CAS Name: 4-[[(2R)-2-oxolanyl]methylsulfamoyl]benzoate
OPENEYE Name: 4-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzoate
IUPAC Name: 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SYSTEMATIC NAME: 4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
MOLECULAR FORMULA: C12H14NO5S-
MOLECULAR WEIGHT: 284.30826
SMILES: C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 435345-44-1
CAS Name: 2,2-diphenyl-1-(1-piperazin-4-iumyl)ethanone
OPENEYE Name: 2,2-diphenyl-1-piperazin-4-ium-1-yl-ethanone
IUPAC Name: 2,2-diphenyl-1-piperazin-4-ium-1-ylethanone
SYSTEMATIC NAME: 2,2-diphenyl-1-piperazin-4-ium-1-yl-ethanone
MOLECULAR FORMULA: C18H21N2O+
MOLECULAR WEIGHT: 281.37214
SMILES: C1CN(CC[NH2+]1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 436099-85-3
CAS Name: (2-methoxyphenyl)-(1-piperazin-4-iumyl)methanone
OPENEYE Name: (2-methoxyphenyl)-piperazin-4-ium-1-yl-methanone
IUPAC Name: (2-methoxyphenyl)-piperazin-4-ium-1-ylmethanone
SYSTEMATIC NAME: (2-methoxyphenyl)-piperazin-4-ium-1-yl-methanone
MOLECULAR FORMULA: C12H17N2O2+
MOLECULAR WEIGHT: 221.27558
SMILES: COC1=CC=CC=C1C(=O)N2CC[NH2+]CC2
Structure:
CAS RN: 436088-70-9
CAS Name: (2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
OPENEYE Name: (2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
IUPAC Name: (2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: (2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
MOLECULAR FORMULA: C15H17ClNO+
MOLECULAR WEIGHT: 262.75458
SMILES: COC1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2Cl
Structure:
CAS RN: 436088-69-6
CAS Name: (4-methoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]ammonium
OPENEYE Name: (4-isopropylphenyl)methyl-[(4-methoxyphenyl)methyl]ammonium
IUPAC Name: (4-methoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]azanium
SYSTEMATIC NAME: (4-methoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]azanium
MOLECULAR FORMULA: C18H24NO+
MOLECULAR WEIGHT: 270.38926
SMILES: CC(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)OC
Structure:
CAS RN: 40171-98-0
CAS Name: (3,4-dimethoxyphenyl)methyl-(2-furanylmethyl)ammonium
OPENEYE Name: (3,4-dimethoxyphenyl)methyl-(2-furylmethyl)ammonium
IUPAC Name: (3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C14H18NO3+
MOLECULAR WEIGHT: 248.29762
SMILES: COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CO2)OC
Structure:
CAS RN: 436087-18-2
CAS Name: 2-furanylmethyl-[(1R)-2-(4-methoxyphenyl)-1-phenylethyl]ammonium
OPENEYE Name: 2-furylmethyl-[(1R)-2-(4-methoxyphenyl)-1-phenyl-ethyl]ammonium
IUPAC Name: furan-2-ylmethyl-[(1R)-2-(4-methoxyphenyl)-1-phenylethyl]azanium
SYSTEMATIC NAME: furan-2-ylmethyl-[(1R)-2-(4-methoxyphenyl)-1-phenyl-ethyl]azanium
MOLECULAR FORMULA: C20H22NO2+
MOLECULAR WEIGHT: 308.39418
SMILES: COC1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)[NH2+]CC3=CC=CO3
Structure:
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