CAS RN: 217326-48-2
CAS Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H11Cl2NO4S
MOLECULAR WEIGHT: 324.18034
SMILES: C1C[C@H](N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)O
Structure:
CAS RN: 884512-77-0
CAS Name: (2R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-morpholinecarboxylic acid
OPENEYE Name: (2R)-4-tert-butoxycarbonylmorpholine-2-carboxylic acid
IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
MOLECULAR FORMULA: C10H17NO5
MOLECULAR WEIGHT: 231.24568
SMILES: CC(C)(C)OC(=O)N1CCO[C@H](C1)C(=O)O
Structure:
CAS RN: 118767-38-7
CAS Name: (2S,4R)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (2S,4R)-4-methyl-5-oxo-pyrrolidine-2-carboxylate
IUPAC Name: ethyl (2S,4R)-4-methyl-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2S,4R)-4-methyl-5-oxidanylidene-pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CCOC(=O)[C@@H]1C[C@H](C(=O)N1)C
Structure:
CAS RN: 301541-47-9
CAS Name: (5R)-5-methyl-1-(phenylmethyl)-2-piperazinone
OPENEYE Name: (5R)-1-benzyl-5-methyl-piperazin-2-one
IUPAC Name: (5R)-1-benzyl-5-methylpiperazin-2-one
SYSTEMATIC NAME: (5R)-5-methyl-1-(phenylmethyl)piperazin-2-one
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: C[C@@H]1CN(C(=O)CN1)CC2=CC=CC=C2
Structure:
CAS RN: 156925-22-3
CAS Name: [(2R)-2-morpholinyl]methanol
OPENEYE Name: [(2R)-morpholin-2-yl]methanol
IUPAC Name: [(2R)-morpholin-2-yl]methanol
SYSTEMATIC NAME: [(2R)-morpholin-2-yl]methanol
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: C1CO[C@H](CN1)CO
Structure:
CAS RN: 136573-96-1
CAS Name: (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxaldehyde
OPENEYE Name: (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde
IUPAC Name: (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde
SYSTEMATIC NAME: (2R,12bS)-2-ethyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde
MOLECULAR FORMULA: C18H20N2O
MOLECULAR WEIGHT: 280.3642
SMILES: CC[C@@H]1C[C@H]2C3=C(CCN2C=C1C=O)C4=CC=CC=C4N3
Structure:
CAS RN: 79011-77-1
CAS Name: (3S,5S)-5-ethenyl-2-oxo-3-oxolanecarboxylic acid ethyl ester
OPENEYE Name: ethyl (3S,5S)-2-oxo-5-vinyl-tetrahydrofuran-3-carboxylate
IUPAC Name: ethyl (3S,5S)-5-ethenyl-2-oxooxolane-3-carboxylate
SYSTEMATIC NAME: ethyl (3S,5S)-5-ethenyl-2-oxidanylidene-oxolane-3-carboxylate
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CCOC(=O)[C@@H]1C[C@H](OC1=O)C=C
Structure:
CAS RN: 154819-52-0
CAS Name: (2R,11bS)-9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carboxaldehyde
OPENEYE Name: (2R,11bS)-9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carbaldehyde
IUPAC Name: (2R,11bS)-9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carbaldehyde
SYSTEMATIC NAME: (2R,11bS)-9,10-dimethoxy-2-methyl-2,6,7,11b-tetrahydro-1H-benzo[a]quinolizine-3-carbaldehyde
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: C[C@@H]1C[C@H]2C3=CC(=C(C=C3CCN2C=C1C=O)OC)OC
Structure:
CAS RN: 59995-47-0
CAS Name: (4R)-4-hydroxy-1-cyclopent-2-enone
OPENEYE Name: (4R)-4-hydroxycyclopent-2-en-1-one
IUPAC Name: (4R)-4-hydroxycyclopent-2-en-1-one
SYSTEMATIC NAME: (4R)-4-oxidanylcyclopent-2-en-1-one
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: C1[C@H](C=CC1=O)O
Structure:
CAS RN: 438631-77-7
CAS Name: (3R)-piperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester
OPENEYE Name: O1-tert-butyl O3-methyl (3R)-piperazine-1,3-dicarboxylate
IUPAC Name: 1-O-tert-butyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O3-methyl (3R)-piperazine-1,3-dicarboxylate
MOLECULAR FORMULA: C11H20N2O4
MOLECULAR WEIGHT: 244.2875
SMILES: CC(C)(C)OC(=O)N1CCN[C@H](C1)C(=O)OC
Structure:
CAS RN: 192330-11-3
CAS Name: (2R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid
OPENEYE Name: (2R)-4-tert-butoxycarbonylpiperazine-2-carboxylic acid
IUPAC Name: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(C)(C)OC(=O)N1CCN[C@H](C1)C(=O)O
Structure:
CAS RN: 64030-43-9
CAS Name: (2S)-N-phenyl-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-phenylpyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-phenylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-phenylpyrrolidine-2-carboxamide
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1C[C@H](NC1)C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 464-43-7
CAS Name: (1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanol
OPENEYE Name: (1R,2S,4R)-1,7,7-trimethylnorbornan-2-ol
IUPAC Name: (1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: (1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O
Structure:
CAS RN: 119750-12-8
CAS Name: 2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
OPENEYE Name: 2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
IUPAC Name: 2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide
MOLECULAR FORMULA: C11H12ClNO3
MOLECULAR WEIGHT: 241.67088
SMILES: C1[C@H](OC2=CC=CC=C2O1)CNC(=O)CCl
Structure:
CAS RN: 109431-87-0
CAS Name: (3R)-3-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-oxidanylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)O
Structure:
CAS RN: 38410-80-9
CAS Name: (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
OPENEYE Name: methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
IUPAC Name: methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
SYSTEMATIC NAME: methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: C[C@@H]1[C@H](OC(O1)(C)C)C(=O)OC
Structure:
CAS RN: 151004-93-2
CAS Name: (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
OPENEYE Name: (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
IUPAC Name: (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SYSTEMATIC NAME: (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CN[C@H](C2=CC=CC=C21)C(=O)O
Structure:
CAS RN: 73724-45-5
CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-propanoic acid
IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
SYSTEMATIC NAME: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CO)C(=O)O
Structure:
CAS RN: 253328-54-0
CAS Name: (1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
OPENEYE Name: (1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
IUPAC Name: (1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1R)-1-[(3aR,5R,6S,6aS)-2,2-dimethyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
MOLECULAR FORMULA: C9H16O6
MOLECULAR WEIGHT: 220.21974
SMILES: CC1(O[C@H]2[C@H]([C@H](O[C@@H]2O1)[C@@H](CO)O)O)C
Structure:
CAS RN: 136846-20-3
CAS Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
MOLECULAR FORMULA: C8H11N3O3S
MOLECULAR WEIGHT: 229.25624
SMILES: C1[C@H](O[C@@H](S1)CO)N2C=CC(=NC2=O)N
Structure:
CAS RN: 50-91-9
CAS Name: 5-fluoro-1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[(2S,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O5
MOLECULAR WEIGHT: 246.192443
SMILES: C1[C@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)F)CO)O
Structure:
CAS RN: 159021-02-0
CAS Name: (2Z)-3-pentyl-2-[(2E,4E,6E)-7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
OPENEYE Name: (2Z)-3-pentyl-2-[(2E,4E,6E)-7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
IUPAC Name: (2Z)-3-pentyl-2-[(2E,4E,6E)-7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
SYSTEMATIC NAME: (2Z)-3-pentyl-2-[(2E,4E,6E)-7-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
MOLECULAR FORMULA: C31H37IN2S2
MOLECULAR WEIGHT: 628.67335
SMILES: CCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCCC.[I-]
Structure:
CAS RN: 99486-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O11
MOLECULAR WEIGHT: 558.57366
SMILES: CC1=C[C@@H]2[C@@]3(C[C@@H]1OC(=O)C)COC(=O)[C@@H]4[C@@]5(O4)CCO/C(=C\C/C=C\C(=O)O[C@H]6C3([C@]7(CO7)[C@@H](C6)O2)C)/C5O
Structure:
CAS RN: 129791-92-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H64N4O13
MOLECULAR WEIGHT: 941.07286
SMILES: C[C@H]1/C=C/C=C(\C(=O)N=C2C3=C(C4=C5C(=C(C(=C4C2=O)O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)NC6=C(O3)C=C(C=C6O)N7CCN(CC7)CC(C)C)/C
Structure:
CAS RN: 61379-65-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H64N4O12
MOLECULAR WEIGHT: 877.03066
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 495-83-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: C/C=C(/C)\C(=O)OC1C[C@H]2CC[C@@H](C1)N2C
Structure:
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