Monday, May 20, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 1-[3-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxy-propoxy]phenyl]ethanone
CAS Name: 1-[3-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]ethanone
IUPAC NAME: 1-[3-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC[C@@H](COC3=CC=CC(=C3)C(=O)C)O
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Product OPENEYE NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
CAS Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
IUPAC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]azanium
SYSTEMATIC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium
MOLECULAR FORMULA: C25H28NO5+
MOLECULAR WEIGHT: 422.49352
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: (2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
CAS Name: (2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)-2-propanol
IUPAC NAME: (2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
SYSTEMATIC NAME: (2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
MOLECULAR FORMULA: C25H27NO5
MOLECULAR WEIGHT: 421.48558
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)NC[C@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
IUPAC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]azanium
SYSTEMATIC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2R)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium
MOLECULAR FORMULA: C25H28NO5+
MOLECULAR WEIGHT: 422.49352
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: (2R)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
CAS Name: (2R)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)-2-propanol
IUPAC NAME: (2R)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
SYSTEMATIC NAME: (2R)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
MOLECULAR FORMULA: C25H27NO5
MOLECULAR WEIGHT: 421.48558
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC[C@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
CAS Name: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
IUPAC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]azanium
SYSTEMATIC NAME: [(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium
MOLECULAR FORMULA: C25H28NO5+
MOLECULAR WEIGHT: 422.49352
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: (2S)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
CAS Name: (2S)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)-2-propanol
IUPAC NAME: (2S)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
SYSTEMATIC NAME: (2S)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
MOLECULAR FORMULA: C25H27NO5
MOLECULAR WEIGHT: 421.48558
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)NC[C@@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
CAS Name: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]ammonium
IUPAC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]azanium
SYSTEMATIC NAME: [(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]azanium
MOLECULAR FORMULA: C25H28NO5+
MOLECULAR WEIGHT: 422.49352
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: (2S)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
CAS Name: (2S)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)-2-propanol
IUPAC NAME: (2S)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
SYSTEMATIC NAME: (2S)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-(4-phenoxyphenoxy)propan-2-ol
MOLECULAR FORMULA: C25H27NO5
MOLECULAR WEIGHT: 421.48558
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC[C@@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O
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Product OPENEYE NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
CAS Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
IUPAC NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SYSTEMATIC NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
MOLECULAR FORMULA: C21H25N2O4+
MOLECULAR WEIGHT: 369.4342
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: 2-[4-[(2R)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile
CAS Name: 2-[4-[(2R)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
IUPAC NAME: 2-[4-[(2R)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-[(2R)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)NC[C@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
CAS Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
IUPAC NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SYSTEMATIC NAME: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
MOLECULAR FORMULA: C21H25N2O4+
MOLECULAR WEIGHT: 369.4342
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: 2-[4-[(2R)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile
CAS Name: 2-[4-[(2R)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
IUPAC NAME: 2-[4-[(2R)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-[(2R)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC[C@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
CAS Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
IUPAC NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SYSTEMATIC NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
MOLECULAR FORMULA: C21H25N2O4+
MOLECULAR WEIGHT: 369.4342
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: 2-[4-[(2S)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile
CAS Name: 2-[4-[(2S)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
IUPAC NAME: 2-[4-[(2S)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-[(2S)-3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C[C@H](C1=CC2=C(C=C1)OCCO2)NC[C@@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
CAS Name: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ammonium
IUPAC NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
SYSTEMATIC NAME: [(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
MOLECULAR FORMULA: C21H25N2O4+
MOLECULAR WEIGHT: 369.4342
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)[NH2+]C[C@@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: 2-[4-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetonitrile
CAS Name: 2-[4-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
IUPAC NAME: 2-[4-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-hydroxypropoxy]phenyl]acetonitrile
SYSTEMATIC NAME: 2-[4-[(2S)-3-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C[C@@H](C1=CC2=C(C=C1)OCCO2)NC[C@@H](COC3=CC=C(C=C3)CC#N)O
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Product OPENEYE NAME: (3-amino-3-oxo-propyl)-[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]ammonium
CAS Name: (3-amino-3-oxopropyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]ammonium
IUPAC NAME: (3-amino-3-oxopropyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
SYSTEMATIC NAME: (3-azanyl-3-oxidanylidene-propyl)-[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]azanium
MOLECULAR FORMULA: C13H20FN2O+
MOLECULAR WEIGHT: 239.309103
SMILES: CC(C)[C@H](C1=CC=C(C=C1)F)[NH2+]CCC(=O)N
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Product OPENEYE NAME: 3-[[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]amino]propanamide
CAS Name: 3-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
IUPAC NAME: 3-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
SYSTEMATIC NAME: 3-[[(1R)-1-(4-fluorophenyl)-2-methyl-propyl]amino]propanamide
MOLECULAR FORMULA: C13H19FN2O
MOLECULAR WEIGHT: 238.301163
SMILES: CC(C)[C@H](C1=CC=C(C=C1)F)NCCC(=O)N
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