Wednesday, June 29, 2011

http://ChemLookup.com Compounds




CAS RN: 886362-15-8
CAS Name: 4-amino-5,7-dichloro-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-amino-5,7-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
IUPAC Name: tert-butyl 4-amino-5,7-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-azanyl-5,7-bis(chloranyl)-3,4-dihydro-2H-quinoline-1-carboxylate
MOLECULAR FORMULA: C14H18Cl2N2O2
MOLECULAR WEIGHT: 317.21092
SMILES: CC(C)(C)OC(=O)N1CCC(C2=C(C=C(C=C21)Cl)Cl)N

CAS RN: 1131605-39-4
CAS Name: 2-hydroxy-5-iodobenzoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: oxolan-2-ylmethyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: oxolan-2-ylmethyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H13IO4
MOLECULAR WEIGHT: 348.13369
SMILES: C1CC(OC1)COC(=O)C2=C(C=CC(=C2)I)O

CAS RN: 1131587-68-2
CAS Name: 5-bromo-2-hydroxybenzoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: oxolan-2-ylmethyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: oxolan-2-ylmethyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H13BrO4
MOLECULAR WEIGHT: 301.13322
SMILES: C1CC(OC1)COC(=O)C2=C(C=CC(=C2)Br)O

CAS RN: 914348-04-2
CAS Name: N-(3-azetidinyl)carbamic acid (phenylmethyl) ester hydrochloride
OPENEYE Name: benzyl N-(azetidin-3-yl)carbamate hydrochloride
IUPAC Name: benzyl N-(azetidin-3-yl)carbamate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) N-(azetidin-3-yl)carbamate hydrochloride
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: C1C(CN1)NC(=O)OCC2=CC=CC=C2.Cl

CAS RN: 287194-38-1
CAS Name: 2-hydroxy-N-[(1S,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
OPENEYE Name: 2-hydroxy-N-[(1S,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
IUPAC Name: 2-hydroxy-N-[(1S,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
SYSTEMATIC NAME: 2-oxidanyl-N-[(1S,6R)-2-oxidanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
MOLECULAR FORMULA: C13H11NO5
MOLECULAR WEIGHT: 261.23014
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@H]3[C@H](C2O)O3)O

CAS RN: 134003-84-2
CAS Name: (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
IUPAC Name: tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
SYSTEMATIC NAME: tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
MOLECULAR FORMULA: C10H19ClN2O2
MOLECULAR WEIGHT: 234.72306
SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2.Cl

CAS RN: 1131587-95-5
CAS Name: 5-bromo-2-methoxy-4-phenylbenzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-methoxy-4-phenyl-benzoate
IUPAC Name: methyl 5-bromo-2-methoxy-4-phenylbenzoate
SYSTEMATIC NAME: methyl 5-bromanyl-2-methoxy-4-phenyl-benzoate
MOLECULAR FORMULA: C15H13BrO3
MOLECULAR WEIGHT: 321.16592
SMILES: COC1=C(C=C(C(=C1)C2=CC=CC=C2)Br)C(=O)OC

CAS RN: 169248-97-9
CAS Name: (3R,4S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid
OPENEYE Name: (3R,4S)-1-tert-butoxycarbonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
IUPAC Name: (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C17H20F3NO4
MOLECULAR WEIGHT: 359.34021
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F

CAS RN: 889675-05-2
CAS Name: 1-[1-(benzenesulfonyl)-4-phenylmethoxy-2-indolyl]ethanone
OPENEYE Name: 1-[1-(benzenesulfonyl)-4-benzyloxy-indol-2-yl]ethanone
IUPAC Name: 1-[1-(benzenesulfonyl)-4-phenylmethoxyindol-2-yl]ethanone
SYSTEMATIC NAME: 1-[4-phenylmethoxy-1-(phenylsulfonyl)indol-2-yl]ethanone
MOLECULAR FORMULA: C23H19NO4S
MOLECULAR WEIGHT: 405.46626
SMILES: CC(=O)C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2OCC4=CC=CC=C4

CAS RN: 25006-65-9
CAS Name: N-[4-(4-nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide
OPENEYE Name: N-[4-(4-nitro-2-sulfamoyl-phenyl)sulfonylphenyl]acetamide
IUPAC Name: N-[4-(4-nitro-2-sulfamoylphenyl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-nitro-2-sulfamoyl-phenyl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C14H13N3O7S2
MOLECULAR WEIGHT: 399.39892
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

CAS RN: 1131588-08-3
CAS Name: 3-iodo-4-(2-methylpropyl)benzoic acid
OPENEYE Name: 3-iodo-4-isobutyl-benzoic acid
IUPAC Name: 3-iodo-4-(2-methylpropyl)benzoic acid
SYSTEMATIC NAME: 3-iodanyl-4-(2-methylpropyl)benzoic acid
MOLECULAR FORMULA: C11H13IO2
MOLECULAR WEIGHT: 304.12419
SMILES: CC(C)CC1=C(C=C(C=C1)C(=O)O)I

CAS RN: 1131615-07-0
CAS Name: 3-bromo-4-(2-methylpropyl)benzoic acid
OPENEYE Name: 3-bromo-4-isobutyl-benzoic acid
IUPAC Name: 3-bromo-4-(2-methylpropyl)benzoic acid
SYSTEMATIC NAME: 3-bromanyl-4-(2-methylpropyl)benzoic acid
MOLECULAR FORMULA: C11H13BrO2
MOLECULAR WEIGHT: 257.12372
SMILES: CC(C)CC1=C(C=C(C=C1)C(=O)O)Br

CAS RN: 1131588-20-9
CAS Name: 4-(2,2-dimethylpropyl)-3-iodobenzoic acid
OPENEYE Name: 4-(2,2-dimethylpropyl)-3-iodo-benzoic acid
IUPAC Name: 4-(2,2-dimethylpropyl)-3-iodobenzoic acid
SYSTEMATIC NAME: 4-(2,2-dimethylpropyl)-3-iodanyl-benzoic acid
MOLECULAR FORMULA: C12H15IO2
MOLECULAR WEIGHT: 318.15077
SMILES: CC(C)(C)CC1=C(C=C(C=C1)C(=O)O)I

CAS RN: 1131614-24-8
CAS Name: 4-cyclohexyl-3-iodobenzoic acid
OPENEYE Name: 4-cyclohexyl-3-iodo-benzoic acid
IUPAC Name: 4-cyclohexyl-3-iodobenzoic acid
SYSTEMATIC NAME: 4-cyclohexyl-3-iodanyl-benzoic acid
MOLECULAR FORMULA: C13H15IO2
MOLECULAR WEIGHT: 330.16147
SMILES: C1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)I

CAS RN: 1131614-80-6
CAS Name: 4-(4-ethylcyclohexyl)-3-iodobenzoic acid
OPENEYE Name: 4-(4-ethylcyclohexyl)-3-iodo-benzoic acid
IUPAC Name: 4-(4-ethylcyclohexyl)-3-iodobenzoic acid
SYSTEMATIC NAME: 4-(4-ethylcyclohexyl)-3-iodanyl-benzoic acid
MOLECULAR FORMULA: C15H19IO2
MOLECULAR WEIGHT: 358.21463
SMILES: CCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)I

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