CAS RN: 173405-78-2
CAS Name: 3,9-diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC Name: tert-butyl 3,9-diazaspiro[5.5]undecane-9-carboxylate
SYSTEMATIC NAME: tert-butyl 3,9-diazaspiro[5.5]undecane-9-carboxylate
MOLECULAR FORMULA: C14H26N2O2
MOLECULAR WEIGHT: 254.36844
SMILES: CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1
Structure:
CAS RN: 170229-04-6
CAS Name: 4,4-bis(2-hydroxyethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C14H27NO4
MOLECULAR WEIGHT: 273.36848
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CCO)CCO
Structure:
CAS RN: 172679-55-9
CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(3-hydroxy-1-piperidinyl)ethyl ester
OPENEYE Name: 2-(3-hydroxy-1-piperidyl)ethyl 4-amino-5-chloro-2-methoxy-benzoate
IUPAC Name: 2-(3-hydroxypiperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
SYSTEMATIC NAME: 2-(3-oxidanylpiperidin-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate
MOLECULAR FORMULA: C15H21ClN2O4
MOLECULAR WEIGHT: 328.79124
SMILES: COC1=CC(=C(C=C1C(=O)OCCN2CCCC(C2)O)Cl)N
Structure:
CAS RN: 1514-96-1
CAS Name: 4-chloro-2-(trifluoromethyl)pyrimidine
OPENEYE Name: 4-chloro-2-(trifluoromethyl)pyrimidine
IUPAC Name: 4-chloro-2-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 4-chloranyl-2-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C5H2ClF3N2
MOLECULAR WEIGHT: 182.53099
SMILES: C1=CN=C(N=C1Cl)C(F)(F)F
Structure:
CAS RN: 70700-35-5
CAS Name: trimethyl-[2-(4-nitrophenyl)prop-2-enyl]ammonium iodide
OPENEYE Name: trimethyl-[2-(4-nitrophenyl)allyl]ammonium iodide
IUPAC Name: trimethyl-[2-(4-nitrophenyl)prop-2-enyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-(4-nitrophenyl)prop-2-enyl]azanium iodide
MOLECULAR FORMULA: C12H17IN2O2
MOLECULAR WEIGHT: 348.18005
SMILES: C[N+](C)(C)CC(=C)C1=CC=C(C=C1)[N+](=O)[O-].[I-]
Structure:
CAS RN: 5743-27-1
CAS Name: calcium (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-2-furanolate
OPENEYE Name: calcium (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-furan-2-olate
IUPAC Name: calcium (5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate
SYSTEMATIC NAME: calcium (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3-oxidanyl-4-oxidanylidene-furan-2-olate
MOLECULAR FORMULA: C12H14CaO12
MOLECULAR WEIGHT: 390.31036
SMILES: C([C@@H]([C@@H]1C(=O)C(=C(O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)[O-])O)O)O.[Ca+2]
Structure:
CAS RN: 39757-71-6
CAS Name: 4-[4-(trifluoromethyl)phenyl]-4-piperidinol
OPENEYE Name: 4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
SYSTEMATIC NAME: 4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
MOLECULAR FORMULA: C12H14F3NO
MOLECULAR WEIGHT: 245.24087
SMILES: C1CNCCC1(C2=CC=C(C=C2)C(F)(F)F)O
Structure:
CAS RN: 105945-24-2
CAS Name: 3-(4-chlorophenoxy)aniline
OPENEYE Name: 3-(4-chlorophenoxy)aniline
IUPAC Name: 3-(4-chlorophenoxy)aniline
SYSTEMATIC NAME: 3-(4-chloranylphenoxy)aniline
MOLECULAR FORMULA: C12H10ClNO
MOLECULAR WEIGHT: 219.6669
SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 150322-73-9
CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)ethanone
OPENEYE Name: 1-cyclopropyl-2-(2-fluorophenyl)ethanone
IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)ethanone
SYSTEMATIC NAME: 1-cyclopropyl-2-(2-fluorophenyl)ethanone
MOLECULAR FORMULA: C11H11FO
MOLECULAR WEIGHT: 178.202843
SMILES: C1CC1C(=O)CC2=CC=CC=C2F
Structure:
CAS RN: 94022-99-8
CAS Name: 3-[2-(trifluoromethyl)phenyl]propanoic acid
OPENEYE Name: 3-[2-(trifluoromethyl)phenyl]propanoic acid
IUPAC Name: 3-[2-(trifluoromethyl)phenyl]propanoic acid
SYSTEMATIC NAME: 3-[2-(trifluoromethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C10H9F3O2
MOLECULAR WEIGHT: 218.17247
SMILES: C1=CC=C(C(=C1)CCC(=O)O)C(F)(F)F
Structure:
CAS RN: 176439-44-4
CAS Name: (2S,4S)-4-amino-1-benzoyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4S)-4-amino-1-benzoyl-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-amino-1-benzoylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S)-4-azanyl-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C1[C@@H](CN([C@@H]1C(=O)O)C(=O)C2=CC=CC=C2)N
Structure:
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