Saturday, February 4, 2012

http://ChemLookup.com Compounds




CAS RN: 87168-39-6
CAS Name: 2-(4-morpholinyl)acetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-morpholinoacetate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-morpholin-4-ylacetate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-morpholin-4-ylethanoate dihydrochloride
MOLECULAR FORMULA: C14H26Cl2N2O3
MOLECULAR WEIGHT: 341.27384
SMILES: CN1C2CCC1CC(C2)OC(=O)CN3CCOCC3.Cl.Cl
Structure:

CAS RN: 87154-49-2
CAS Name: 1-[4-acetyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-benzofuranyl]ethanone hydrochloride
OPENEYE Name: 1-[4-acetyl-5-[3-(tert-butylamino)-2-hydroxy-propoxy]benzofuran-2-yl]ethanone hydrochloride
IUPAC Name: 1-[4-acetyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1-benzofuran-2-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-ethanoyl-1-benzofuran-2-yl]ethanone hydrochloride
MOLECULAR FORMULA: C19H26ClNO5
MOLECULAR WEIGHT: 383.86644
SMILES: CC(=O)C1=CC2=C(O1)C=CC(=C2C(=O)C)OCC(CNC(C)(C)C)O.Cl
Structure:

CAS RN: 87126-08-7
CAS Name: 3-methoxy-5-methyl-2,7-diphenylthiazolo[3,2-a]pyrimidin-4-ium perchlorate
OPENEYE Name: 3-methoxy-5-methyl-2,7-diphenyl-thiazolo[3,2-a]pyrimidin-4-ium perchlorate
IUPAC Name: 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium perchlorate
SYSTEMATIC NAME: 3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium perchlorate
MOLECULAR FORMULA: C20H17ClN2O5S
MOLECULAR WEIGHT: 432.87738
SMILES: CC1=[N+]2C(=C(SC2=NC(=C1)C3=CC=CC=C3)C4=CC=CC=C4)OC.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 87125-99-3
CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-2-phenylacetic acid
OPENEYE Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid
IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C20H18N2O3S
MOLECULAR WEIGHT: 366.43352
SMILES: CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C3=CC=CC=C3)C(=O)O
Structure:

CAS RN: 87125-97-1
CAS Name: 2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]-2-phenylacetic acid
OPENEYE Name: 2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid
IUPAC Name: 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C17H19N3O3S
MOLECULAR WEIGHT: 345.41606
SMILES: CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)N3CCOCC3
Structure:

CAS RN: 87125-95-9
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-phenylacetic acid
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H14N2O2S
MOLECULAR WEIGHT: 274.33816
SMILES: CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)C
Structure:

CAS RN: 87124-01-4
CAS Name: 2-amino-1-(4-bromophenyl)-1-propanone hydrochloride
OPENEYE Name: 2-amino-1-(4-bromophenyl)propan-1-one hydrochloride
IUPAC Name: 2-amino-1-(4-bromophenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(4-bromophenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C9H11BrClNO
MOLECULAR WEIGHT: 264.54674
SMILES: CC(C(=O)C1=CC=C(C=C1)Br)N.Cl
Structure:

CAS RN: 87092-30-6
CAS Name: 2,2-dimethylpropanoic acid [4-[1-hydroxy-2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylamino]propyl]phenyl] ester hydrochloride
OPENEYE Name: [4-[1-hydroxy-2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylamino]propyl]phenyl] 2,2-dimethylpropanoate hydrochloride
IUPAC Name: [4-[1-hydroxy-2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylamino]propyl]phenyl] 2,2-dimethylpropanoate hydrochloride
SYSTEMATIC NAME: [4-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylamino]-1-oxidanyl-propyl]phenyl] 2,2-dimethylpropanoate hydrochloride
MOLECULAR FORMULA: C24H32ClNO5
MOLECULAR WEIGHT: 449.96758
SMILES: CC(C(C1=CC=C(C=C1)OC(=O)C(C)(C)C)O)NCCC2(OC3=CC=CC=C3O2)C.Cl
Structure:

CAS RN: 87081-34-3
CAS Name: 5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-2-oxazolidinone
OPENEYE Name: 5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]oxazolidin-2-one
IUPAC Name: 5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: CC1C(OC(=O)N1CCC2(OC3=CC=CC=C3O2)C)C4=CC=C(C=C4)O
Structure:

CAS RN: 87081-21-8
CAS Name: 4-[1-hydroxy-2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylamino]propyl]phenol hydrochloride
OPENEYE Name: 4-[1-hydroxy-2-[[1-methyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]amino]propyl]phenol hydrochloride
IUPAC Name: 4-[1-hydroxy-2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylamino]propyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-[1-(2-methyl-1,3-benzodioxol-2-yl)propan-2-ylamino]-1-oxidanyl-propyl]phenol hydrochloride
MOLECULAR FORMULA: C20H26ClNO4
MOLECULAR WEIGHT: 379.87774
SMILES: CC(CC1(OC2=CC=CC=C2O1)C)NC(C)C(C3=CC=C(C=C3)O)O.Cl
Structure:

CAS RN: 87081-20-7
CAS Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrochloride
OPENEYE Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrochloride
IUPAC Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]-1-oxidanyl-propyl]phenol hydrochloride
MOLECULAR FORMULA: C19H24ClNO4
MOLECULAR WEIGHT: 365.85116
SMILES: CC(C(C1=CC=C(C=C1)O)O)NCC2(COC3=CC=CC=C3O2)C.Cl
Structure:

CAS RN: 87081-19-4
CAS Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrobromide
OPENEYE Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrobromide
IUPAC Name: 4-[1-hydroxy-2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]propyl]phenol hydrobromide
SYSTEMATIC NAME: 4-[2-[(3-methyl-2H-1,4-benzodioxin-3-yl)methylamino]-1-oxidanyl-propyl]phenol hydrobromide
MOLECULAR FORMULA: C19H24BrNO4
MOLECULAR WEIGHT: 410.30216
SMILES: CC(C(C1=CC=C(C=C1)O)O)NCC2(COC3=CC=CC=C3O2)C.Br
Structure:

CAS RN: 87081-18-3
CAS Name: 4-[1-hydroxy-2-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propyl]phenol hydrochloride
OPENEYE Name: 4-[1-hydroxy-2-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propyl]phenol hydrochloride
IUPAC Name: 4-[1-hydroxy-2-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[1-oxidanyl-2-[(3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methylamino]propyl]phenol hydrochloride
MOLECULAR FORMULA: C24H26ClNO4
MOLECULAR WEIGHT: 427.92054
SMILES: CC(C(C1=CC=C(C=C1)O)O)NCC2C(OC3=CC=CC=C3O2)C4=CC=CC=C4.Cl
Structure:

CAS RN: 87081-17-2
CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxypropyl]phenol hydrochloride
OPENEYE Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxy-propyl]phenol hydrochloride
IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxypropyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxidanyl-propyl]phenol hydrochloride
MOLECULAR FORMULA: C18H22ClNO4
MOLECULAR WEIGHT: 351.82458
SMILES: CC(C(C1=CC=C(C=C1)O)O)NCC2COC3=CC=CC=C3O2.Cl
Structure:

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