Friday, March 30, 2012

http://ChemLookup.com Compounds




CAS RN: 4406-27-3
CAS Name: 4-methylbenzenesulfonic acid (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) ester
OPENEYE Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate
IUPAC Name: (3,3,5-trimethyl-6-oxo-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (3,3,5-trimethyl-6-oxidanylidene-2-phenyl-2H-pyran-4-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H22O5S
MOLECULAR WEIGHT: 386.46138
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)OC(C2(C)C)C3=CC=CC=C3)C
Structure:

CAS RN: 64511-33-7
CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol
OPENEYE Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol
IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol
SYSTEMATIC NAME: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol
MOLECULAR FORMULA: C20H25N3O5
MOLECULAR WEIGHT: 387.4296
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O
Structure:

CAS RN: 94138-70-2
CAS Name: 2-(2-benzofuranyl)-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-(benzofuran-2-yl)-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-(1-benzofuran-2-yl)-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(1-benzofuran-2-yl)-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H10N2O2
MOLECULAR WEIGHT: 262.2628
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4O3
Structure:

CAS RN: 64511-65-5
CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(2-nitrophenoxy)-2-propanol dihydrochloride
OPENEYE Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride
IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H27Cl2N3O5
MOLECULAR WEIGHT: 460.35148
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3[N+](=O)[O-])O.Cl.Cl
Structure:

CAS RN: 63674-47-5
CAS Name: 1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)O
Structure:

CAS RN: 67465-86-5
CAS Name: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-indan-5-yloxy-propan-2-ol
IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: C1CC2=C(C1)C=C(C=C2)OCC(CN3CCN(CC3)CCO)O
Structure:

CAS RN: 433242-64-9
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]butanoic acid
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoic acid
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoic acid
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanoic acid
MOLECULAR FORMULA: C10H14N2O2S
MOLECULAR WEIGHT: 226.29536
SMILES: CCC(C(=O)O)SC1=NC(=CC(=N1)C)C
Structure:

CAS RN: 36997-29-2
CAS Name: N-(2-ethylhexyl)benzenesulfonamide
OPENEYE Name: N-(2-ethylhexyl)benzenesulfonamide
IUPAC Name: N-(2-ethylhexyl)benzenesulfonamide
SYSTEMATIC NAME: N-(2-ethylhexyl)benzenesulfonamide
MOLECULAR FORMULA: C14H23NO2S
MOLECULAR WEIGHT: 269.40292
SMILES: CCCCC(CC)CNS(=O)(=O)C1=CC=CC=C1
Structure:

CAS RN: 24090-18-4
CAS Name: 4,7-dioxo-7-thiophen-2-ylheptanoic acid
OPENEYE Name: 4,7-dioxo-7-(2-thienyl)heptanoic acid
IUPAC Name: 4,7-dioxo-7-thiophen-2-ylheptanoic acid
SYSTEMATIC NAME: 4,7-bis(oxidanylidene)-7-thiophen-2-yl-heptanoic acid
MOLECULAR FORMULA: C11H12O4S
MOLECULAR WEIGHT: 240.27558
SMILES: C1=CSC(=C1)C(=O)CCC(=O)CCC(=O)O
Structure:

CAS RN: 64498-16-4
CAS Name: cyclohexyl-(2-ethyl-1-piperidinyl)methanone
OPENEYE Name: cyclohexyl-(2-ethyl-1-piperidyl)methanone
IUPAC Name: cyclohexyl-(2-ethylpiperidin-1-yl)methanone
SYSTEMATIC NAME: cyclohexyl-(2-ethylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C14H25NO
MOLECULAR WEIGHT: 223.3544
SMILES: CCC1CCCCN1C(=O)C2CCCCC2
Structure:

CAS RN: 63441-20-3
CAS Name: cyclohexyl-(3-methyl-1-piperidinyl)methanone
OPENEYE Name: cyclohexyl-(3-methyl-1-piperidyl)methanone
IUPAC Name: cyclohexyl-(3-methylpiperidin-1-yl)methanone
SYSTEMATIC NAME: cyclohexyl-(3-methylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C13H23NO
MOLECULAR WEIGHT: 209.32782
SMILES: CC1CCCN(C1)C(=O)C2CCCCC2
Structure:

CAS RN: 5296-14-0
CAS Name: 1-(3-methylphenoxy)-3-(1-pyrrolidinyl)-2-propanol hydrochloride
OPENEYE Name: 1-(3-methylphenoxy)-3-pyrrolidin-1-yl-propan-2-ol hydrochloride
IUPAC Name: 1-(3-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(3-methylphenoxy)-3-pyrrolidin-1-yl-propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H22ClNO2
MOLECULAR WEIGHT: 271.78298
SMILES: CC1=CC(=CC=C1)OCC(CN2CCCC2)O.Cl
Structure:

CAS RN: 62848-47-9
CAS Name: 2-(2,5-dioxo-1-phenyl-4-imidazolidinyl)acetic acid
OPENEYE Name: 2-(2,5-dioxo-1-phenyl-imidazolidin-4-yl)acetic acid
IUPAC Name: 2-(2,5-dioxo-1-phenylimidazolidin-4-yl)acetic acid
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)-1-phenyl-imidazolidin-4-yl]ethanoic acid
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: C1=CC=C(C=C1)N2C(=O)C(NC2=O)CC(=O)O
Structure:

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