CAS RN: 161601-29-2
CAS Name: (1S,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopentanecarboxylate
OPENEYE Name: (1S,3S)-3-(tert-butoxycarbonylamino)cyclopentanecarboxylate
IUPAC Name: (1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SYSTEMATIC NAME: (1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
MOLECULAR FORMULA: C11H18NO4-
MOLECULAR WEIGHT: 228.26492
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)C(=O)[O-]
Structure:
CAS RN: 161660-94-2
CAS Name: (1R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopentanecarboxylate
OPENEYE Name: (1R,3S)-3-(tert-butoxycarbonylamino)cyclopentanecarboxylate
IUPAC Name: (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SYSTEMATIC NAME: (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
MOLECULAR FORMULA: C11H18NO4-
MOLECULAR WEIGHT: 228.26492
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)C(=O)[O-]
Structure:
CAS RN: 220760-49-6
CAS Name: (1S,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexanecarboxylate
OPENEYE Name: (1S,2S)-2-(tert-butoxycarbonylamino)cyclohexanecarboxylate
IUPAC Name: (1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
SYSTEMATIC NAME: (1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H20NO4-
MOLECULAR WEIGHT: 242.2915
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)[O-]
Structure:
CAS RN: 33548-33-3
CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
OPENEYE Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
IUPAC Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SYSTEMATIC NAME: 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate
MOLECULAR FORMULA: C11H9N2O3-
MOLECULAR WEIGHT: 217.20076
SMILES: C1CC(=O)N(N=C1C(=O)[O-])C2=CC=CC=C2
Structure:
CAS RN: 100961-61-3
CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoate
OPENEYE Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
MOLECULAR FORMULA: C15H10NO2S2-
MOLECULAR WEIGHT: 300.3754
SMILES: C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3S2)C(=O)[O-]
Structure:
CAS RN: 161948-70-5
CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]acetate
OPENEYE Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]acetate
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
SYSTEMATIC NAME: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethanoate
MOLECULAR FORMULA: C12H20NO5-
MOLECULAR WEIGHT: 258.2909
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)[O-]
Structure:
CAS RN: 83673-98-7
CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolecarboxylate
OPENEYE Name: 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C9H11N2O4S-
MOLECULAR WEIGHT: 243.25964
SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)C(=O)[O-]
Structure:
CAS RN: 2627-59-0
CAS Name: 7-amino-2-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylate
OPENEYE Name: 7-amino-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate
IUPAC Name: 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: 7-azanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C8H7N4O2-
MOLECULAR WEIGHT: 191.16678
SMILES: CC1=NN2C(=C1)N=CC(=C2N)C(=O)[O-]
Structure:
CAS RN: 16344-24-4
CAS Name: 2-anilino-3-pyridinecarboxylate
OPENEYE Name: 2-anilinopyridine-3-carboxylate
IUPAC Name: 2-anilinopyridine-3-carboxylate
SYSTEMATIC NAME: 2-phenylazanylpyridine-3-carboxylate
MOLECULAR FORMULA: C12H9N2O2-
MOLECULAR WEIGHT: 213.21206
SMILES: C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)[O-]
Structure:
CAS RN: 10242-12-3
CAS Name: 5-nitro-2-benzofurancarboxylate
OPENEYE Name: 5-nitrobenzofuran-2-carboxylate
IUPAC Name: 5-nitro-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: 5-nitro-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C9H4NO5-
MOLECULAR WEIGHT: 206.13176
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)C(=O)[O-]
Structure:
CAS RN: 37531-36-5
CAS Name: 3-nitro-4-(phenylthio)benzoate
OPENEYE Name: 3-nitro-4-phenylsulfanyl-benzoate
IUPAC Name: 3-nitro-4-phenylsulfanylbenzoate
SYSTEMATIC NAME: 3-nitro-4-phenylsulfanyl-benzoate
MOLECULAR FORMULA: C13H8NO4S-
MOLECULAR WEIGHT: 274.27192
SMILES: C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5259-50-7
CAS Name: (1R,4S,5S)-4-methoxy-5-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester
OPENEYE Name: methyl (1R,4S,5S)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
IUPAC Name: methyl (1R,4S,5S)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
SYSTEMATIC NAME: methyl (1R,4S,5S)-4-methoxybicyclo[2.2.2]oct-2-ene-5-carboxylate
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: COC(=O)[C@H]1C[C@H]2CC[C@@]1(C=C2)OC
Structure:
CAS RN: 3969-84-4
CAS Name: (1R)-1-[(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
OPENEYE Name: (1R)-1-[(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
IUPAC Name: (1R)-1-[(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(4S,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
MOLECULAR FORMULA: C9H18O6
MOLECULAR WEIGHT: 222.23562
SMILES: CC1(O[C@H]([C@@H](O1)[C@@H](CO)O)[C@@H](CO)O)C
Structure:
CAS RN: 6627-91-4
CAS Name: 2-(cyanomethyl)benzoate
OPENEYE Name: 2-(cyanomethyl)benzoate
IUPAC Name: 2-(cyanomethyl)benzoate
SYSTEMATIC NAME: 2-(cyanomethyl)benzoate
MOLECULAR FORMULA: C9H6NO2-
MOLECULAR WEIGHT: 160.14944
SMILES: C1=CC=C(C(=C1)CC#N)C(=O)[O-]
Structure:
CAS RN: 875-97-8
CAS Name: 2-[(5R)-2,4-dioxo-5-thiazolidinyl]acetate
OPENEYE Name: 2-[(5R)-2,4-dioxothiazolidin-5-yl]acetate
IUPAC Name: 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SYSTEMATIC NAME: 2-[(5R)-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]ethanoate
MOLECULAR FORMULA: C5H4NO4S-
MOLECULAR WEIGHT: 174.15456
SMILES: C([C@@H]1C(=O)NC(=O)S1)C(=O)[O-]
Structure:
CAS RN: 875-97-8
CAS Name: 2-[(5S)-2,4-dioxo-5-thiazolidinyl]acetate
OPENEYE Name: 2-[(5S)-2,4-dioxothiazolidin-5-yl]acetate
IUPAC Name: 2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SYSTEMATIC NAME: 2-[(5S)-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]ethanoate
MOLECULAR FORMULA: C5H4NO4S-
MOLECULAR WEIGHT: 174.15456
SMILES: C([C@H]1C(=O)NC(=O)S1)C(=O)[O-]
Structure:
CAS RN: 410536-97-9
CAS Name: 2-[(2-oxo-1-naphthalenylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide
OPENEYE Name: 2-[(2-oxo-1-naphthylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide
IUPAC Name: 2-[(2-oxonaphthalen-1-ylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide
SYSTEMATIC NAME: 2-[(2-oxidanylidenenaphthalen-1-ylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide
MOLECULAR FORMULA: C26H22N2O2
MOLECULAR WEIGHT: 394.46508
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC=C3C(=O)C=CC4=CC=CC=C43
Structure:
CAS RN: 108446-76-0
CAS Name: (E)-3-[1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]-2-propenoate
OPENEYE Name: (E)-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate
IUPAC Name: (E)-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate
SYSTEMATIC NAME: (E)-3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoate
MOLECULAR FORMULA: C24H17N2O2-
MOLECULAR WEIGHT: 365.40398
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN(C=C3/C=C/C(=O)[O-])C4=CC=CC=C4
Structure:
CAS RN: 3535-35-1
CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoate
OPENEYE Name: 4-isobutoxy-3-methoxy-benzoate
IUPAC Name: 3-methoxy-4-(2-methylpropoxy)benzoate
SYSTEMATIC NAME: 3-methoxy-4-(2-methylpropoxy)benzoate
MOLECULAR FORMULA: C12H15O4-
MOLECULAR WEIGHT: 223.2451
SMILES: CC(C)COC1=C(C=C(C=C1)C(=O)[O-])OC
Structure:
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