Monday, June 27, 2011

http://ChemLookup.com Compounds




CAS RN: 106634-70-2
CAS Name: 1-(2-amino-3-ethoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-3-ethoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-3-ethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-3-ethoxy-phenyl)ethanone
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCOC1=CC=CC(=C1N)C(=O)C

CAS RN: 516526-41-3
CAS Name: 1-(2-amino-4-methoxy-5-phenylmethoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-5-benzyloxy-4-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-4-methoxy-5-phenylmethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-methoxy-5-phenylmethoxy-phenyl)ethanone
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CC(=O)C1=CC(=C(C=C1N)OC)OCC2=CC=CC=C2

CAS RN: 777067-75-1
CAS Name: 1-(2-amino-3,4-dichlorophenyl)ethanone
OPENEYE Name: 1-(2-amino-3,4-dichloro-phenyl)ethanone
IUPAC Name: 1-(2-amino-3,4-dichlorophenyl)ethanone
SYSTEMATIC NAME: 1-[2-azanyl-3,4-bis(chloranyl)phenyl]ethanone
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: CC(=O)C1=C(C(=C(C=C1)Cl)Cl)N

CAS RN: 817209-18-0
CAS Name: 1-(2-amino-3-chloro-4-methylphenyl)ethanone
OPENEYE Name: 1-(2-amino-3-chloro-4-methyl-phenyl)ethanone
IUPAC Name: 1-(2-amino-3-chloro-4-methylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-3-chloranyl-4-methyl-phenyl)ethanone
MOLECULAR FORMULA: C9H10ClNO
MOLECULAR WEIGHT: 183.6348
SMILES: CC1=C(C(=C(C=C1)C(=O)C)N)Cl

CAS RN: 913569-24-1
CAS Name: 1-[2-amino-4-(trifluoromethoxy)phenyl]ethanone
OPENEYE Name: 1-[2-amino-4-(trifluoromethoxy)phenyl]ethanone
IUPAC Name: 1-[2-amino-4-(trifluoromethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-azanyl-4-(trifluoromethyloxy)phenyl]ethanone
MOLECULAR FORMULA: C9H8F3NO2
MOLECULAR WEIGHT: 219.16053
SMILES: CC(=O)C1=C(C=C(C=C1)OC(F)(F)F)N

CAS RN: 947691-62-5
CAS Name: 1-(2-amino-5-ethyl-4-methoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-5-ethyl-4-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-5-ethyl-4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-5-ethyl-4-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCC1=C(C=C(C(=C1)C(=O)C)N)OC

CAS RN: 947691-54-5
CAS Name: 1-[2-amino-4-methoxy-5-(2-methoxyethoxy)phenyl]ethanone
OPENEYE Name: 1-[2-amino-4-methoxy-5-(2-methoxyethoxy)phenyl]ethanone
IUPAC Name: 1-[2-amino-4-methoxy-5-(2-methoxyethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-azanyl-4-methoxy-5-(2-methoxyethoxy)phenyl]ethanone
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CC(=O)C1=CC(=C(C=C1N)OC)OCCOC

CAS RN: 947691-67-0
CAS Name: 1-(2-amino-4-ethyl-5-methoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-4-ethyl-5-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-4-ethyl-5-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-ethyl-5-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCC1=C(C=C(C(=C1)N)C(=O)C)OC

CAS RN: 949159-97-1
CAS Name: 1-(2-amino-4-fluoro-5-methoxyphenyl)ethanone
OPENEYE Name: 1-(2-amino-4-fluoro-5-methoxy-phenyl)ethanone
IUPAC Name: 1-(2-amino-4-fluoro-5-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-4-fluoranyl-5-methoxy-phenyl)ethanone
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: CC(=O)C1=CC(=C(C=C1N)F)OC

CAS RN: 869365-89-9
CAS Name: (2-amino-5-chlorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
OPENEYE Name: (2-amino-5-chloro-phenyl)-(2-fluoro-6-methoxy-phenyl)methanone
IUPAC Name: (2-amino-5-chlorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
SYSTEMATIC NAME: (2-azanyl-5-chloranyl-phenyl)-(2-fluoranyl-6-methoxy-phenyl)methanone
MOLECULAR FORMULA: C14H11ClFNO2
MOLECULAR WEIGHT: 279.694043
SMILES: COC1=C(C(=CC=C1)F)C(=O)C2=C(C=CC(=C2)Cl)N

CAS RN: 869365-97-9
CAS Name: (5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone
OPENEYE Name: (5-chloro-2-iodo-phenyl)-(2,6-difluorophenyl)methanone
IUPAC Name: (5-chloro-2-iodophenyl)-(2,6-difluorophenyl)methanone
SYSTEMATIC NAME: [2,6-bis(fluoranyl)phenyl]-(5-chloranyl-2-iodanyl-phenyl)methanone
MOLECULAR FORMULA: C13H6ClF2IO
MOLECULAR WEIGHT: 378.540416
SMILES: C1=CC(=C(C(=C1)F)C(=O)C2=C(C=CC(=C2)Cl)I)F

CAS RN: 1000994-94-4
CAS Name: 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OPENEYE Name: 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 2-[4-[1,1-bis(fluoranyl)ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
MOLECULAR FORMULA: C14H19BF2O2
MOLECULAR WEIGHT: 268.107266
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(F)F

CAS RN: 207502-65-6
CAS Name: 2-[[oxo-[4-(trifluoromethyl)-3-pyridinyl]methyl]amino]acetic acid
OPENEYE Name: 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
IUPAC Name: 2-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4-(trifluoromethyl)pyridin-3-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H7F3N2O3
MOLECULAR WEIGHT: 248.15869
SMILES: C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)O

CAS RN: 955997-27-0
CAS Name: 1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
OPENEYE Name: 1-[4-(trifluoromethyl)-3-pyridyl]ethanone
IUPAC Name: 1-[4-(trifluoromethyl)pyridin-3-yl]ethanone
SYSTEMATIC NAME: 1-[4-(trifluoromethyl)pyridin-3-yl]ethanone
MOLECULAR FORMULA: C8H6F3NO
MOLECULAR WEIGHT: 189.13455
SMILES: CC(=O)C1=C(C=CN=C1)C(F)(F)F

CAS RN: 911466-96-1
CAS Name: 5-ethoxycarbonyl-2-thiazolecarboxylic acid
OPENEYE Name: 5-ethoxycarbonylthiazole-2-carboxylic acid
IUPAC Name: 5-ethoxycarbonyl-1,3-thiazole-2-carboxylic acid
SYSTEMATIC NAME: 5-ethoxycarbonyl-1,3-thiazole-2-carboxylic acid
MOLECULAR FORMULA: C7H7NO4S
MOLECULAR WEIGHT: 201.19978
SMILES: CCOC(=O)C1=CN=C(S1)C(=O)O

CAS RN: 911466-95-0
CAS Name: thiazole-2,5-dicarboxylic acid O2-(diphenylmethyl) ester O5-ethyl ester
OPENEYE Name: O2-benzhydryl O5-ethyl thiazole-2,5-dicarboxylate
IUPAC Name: 2-O-benzhydryl 5-O-ethyl 1,3-thiazole-2,5-dicarboxylate
SYSTEMATIC NAME: O2-(diphenylmethyl) O5-ethyl 1,3-thiazole-2,5-dicarboxylate
MOLECULAR FORMULA: C20H17NO4S
MOLECULAR WEIGHT: 367.41828
SMILES: CCOC(=O)C1=CN=C(S1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3

CAS RN: 1023594-54-8
CAS Name: thiazole-2,5-dicarboxylic acid O2-tert-butyl ester O5-ethyl ester
OPENEYE Name: O2-tert-butyl O5-ethyl thiazole-2,5-dicarboxylate
IUPAC Name: 2-O-tert-butyl 5-O-ethyl 1,3-thiazole-2,5-dicarboxylate
SYSTEMATIC NAME: O2-tert-butyl O5-ethyl 1,3-thiazole-2,5-dicarboxylate
MOLECULAR FORMULA: C11H15NO4S
MOLECULAR WEIGHT: 257.3061
SMILES: CCOC(=O)C1=CN=C(S1)C(=O)OC(C)(C)C

CAS RN: 1029432-03-8
CAS Name: 5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiazolecarboxylic acid
OPENEYE Name: 5-tert-butoxycarbonylthiazole-2-carboxylic acid
IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-2-carboxylic acid
SYSTEMATIC NAME: 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazole-2-carboxylic acid
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: CC(C)(C)OC(=O)C1=CN=C(S1)C(=O)O

CAS RN: 878671-96-6
CAS Name: 3-amino-4-(4-cyclopropyl-1-naphthalenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-amino-4-(4-cyclopropyl-1-naphthyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-azanyl-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H14N4S
MOLECULAR WEIGHT: 282.36346
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NNC4=S)N

CAS RN: 913574-02-4
CAS Name: 6-ethenyl-3-pyridinamine
OPENEYE Name: 6-vinylpyridin-3-amine
IUPAC Name: 6-ethenylpyridin-3-amine
SYSTEMATIC NAME: 6-ethenylpyridin-3-amine
MOLECULAR FORMULA: C7H8N2
MOLECULAR WEIGHT: 120.15182
SMILES: C=CC1=NC=C(C=C1)N

CAS RN: 850544-21-7
CAS Name: 4-amino-5-nitro-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 4-amino-5-nitro-pyridine-2-carboxylate
IUPAC Name: methyl 4-amino-5-nitropyridine-2-carboxylate
SYSTEMATIC NAME: methyl 4-azanyl-5-nitro-pyridine-2-carboxylate
MOLECULAR FORMULA: C7H7N3O4
MOLECULAR WEIGHT: 197.14818
SMILES: COC(=O)C1=NC=C(C(=C1)N)[N+](=O)[O-]

CAS RN: 158932-00-4
CAS Name: (2R)-3-(2-hydroxy-1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2R)-2-(tert-butoxycarbonylamino)-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
IUPAC Name: (2R)-3-(2-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxidanyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=C(NC2=CC=CC=C21)O)C(=O)O

CAS RN: 52485-52-6
CAS Name: (2R)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(2-hydroxy-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2-oxidanyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1=CC=C2C(=C1)C(=C(N2)O)C[C@H](C(=O)O)N

CAS RN: 69447-84-3
CAS Name: 1-(4-nitrophenyl)ethanamine hydrobromide
OPENEYE Name: 1-(4-nitrophenyl)ethanamine hydrobromide
IUPAC Name: 1-(4-nitrophenyl)ethanamine hydrobromide
SYSTEMATIC NAME: 1-(4-nitrophenyl)ethanamine hydrobromide
MOLECULAR FORMULA: C8H11BrN2O2
MOLECULAR WEIGHT: 247.08914
SMILES: CC(C1=CC=C(C=C1)[N+](=O)[O-])N.Br

CAS RN: 944899-22-3
CAS Name: 3-iodo-7-phenylmethoxy-2H-indazole
OPENEYE Name: 7-benzyloxy-3-iodo-2H-indazole
IUPAC Name: 3-iodo-7-phenylmethoxy-2H-indazole
SYSTEMATIC NAME: 3-iodanyl-7-phenylmethoxy-2H-indazole
MOLECULAR FORMULA: C14H11IN2O
MOLECULAR WEIGHT: 350.15441
SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C(NN=C32)I

CAS RN: 954238-84-7
CAS Name: N-(2-amino-6-methoxyphenyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-amino-6-methoxy-phenyl)carbamate
IUPAC Name: tert-butyl N-(2-amino-6-methoxyphenyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-azanyl-6-methoxy-phenyl)carbamate
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)N

CAS RN: 885273-72-3
CAS Name: 3-(3,4-dimethylphenyl)-5-isoxazolecarboxaldehyde
OPENEYE Name: 3-(3,4-dimethylphenyl)isoxazole-5-carbaldehyde
IUPAC Name: 3-(3,4-dimethylphenyl)-1,2-oxazole-5-carbaldehyde
SYSTEMATIC NAME: 3-(3,4-dimethylphenyl)-1,2-oxazole-5-carbaldehyde
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: CC1=C(C=C(C=C1)C2=NOC(=C2)C=O)C

CAS RN: 808740-52-5
CAS Name: 3-(2-fluorophenyl)-5-isoxazolecarboxaldehyde
OPENEYE Name: 3-(2-fluorophenyl)isoxazole-5-carbaldehyde
IUPAC Name: 3-(2-fluorophenyl)-1,2-oxazole-5-carbaldehyde
SYSTEMATIC NAME: 3-(2-fluorophenyl)-1,2-oxazole-5-carbaldehyde
MOLECULAR FORMULA: C10H6FNO2
MOLECULAR WEIGHT: 191.158543
SMILES: C1=CC=C(C(=C1)C2=NOC(=C2)C=O)F

CAS RN: 885273-52-9
CAS Name: 3-(3-fluorophenyl)-5-isoxazolecarboxaldehyde
OPENEYE Name: 3-(3-fluorophenyl)isoxazole-5-carbaldehyde
IUPAC Name: 3-(3-fluorophenyl)-1,2-oxazole-5-carbaldehyde
SYSTEMATIC NAME: 3-(3-fluorophenyl)-1,2-oxazole-5-carbaldehyde
MOLECULAR FORMULA: C10H6FNO2
MOLECULAR WEIGHT: 191.158543
SMILES: C1=CC(=CC(=C1)F)C2=NOC(=C2)C=O

CAS RN: 192945-49-6
CAS Name: 4H-indazole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4H-indazole-3-carboxylate
IUPAC Name: methyl 4H-indazole-3-carboxylate
SYSTEMATIC NAME: methyl 4H-indazole-3-carboxylate
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC(=O)C1=C2CC=CC=C2N=N1

CAS RN: 954240-26-7
CAS Name: 4-[[4-(methylamino)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[[4-(methylamino)phenyl]methyl]piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-[[4-(methylamino)phenyl]methyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[4-(methylamino)phenyl]methyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C17H27N3O2
MOLECULAR WEIGHT: 305.41518
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC

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