Wednesday, June 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-methyl-benzamide
CAS Name: 2-methyl-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CC1=CC=CC=C1C(=O)N[C@@H]2CCCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME: (2S)-2-[[(1S)-2-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-methyl-2-oxo-ethyl]ammonio]pentanoate
CAS Name: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]ammonio]pentanoate
IUPAC NAME: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]azaniumyl]pentanoate
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxidanylidene-propan-2-yl]azaniumyl]pentanoate
MOLECULAR FORMULA: C19H32N2O5
MOLECULAR WEIGHT: 368.46778
SMILES: CCC[C@@H](C(=O)[O-])[NH2+][C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCC
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Product OPENEYE NAME: (2S)-2-[[(1S)-2-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-methyl-2-oxo-ethyl]amino]pentanoic acid
CAS Name: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]pentanoic acid
IUPAC NAME: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
MOLECULAR FORMULA: C19H32N2O5
MOLECULAR WEIGHT: 368.46778
SMILES: CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCC
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-methyl-benzamide
CAS Name: 2-methyl-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide
MOLECULAR FORMULA: C20H25N2O+
MOLECULAR WEIGHT: 309.4253
SMILES: CC1=CC=CC=C1C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzyl-3-piperidyl]-2-methyl-benzamide
CAS Name: 2-methyl-N-[(3S)-1-(phenylmethyl)-3-piperidinyl]benzamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-3-yl]-2-methylbenzamide
SYSTEMATIC NAME: 2-methyl-N-[(3S)-1-(phenylmethyl)piperidin-3-yl]benzamide
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: CC1=CC=CC=C1C(=O)N[C@H]2CCCN(C2)CC3=CC=CC=C3
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Product OPENEYE NAME: (5R,6R)-3-[2-(aminomethyleneammonio)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: (5R,6R)-3-[2-(aminomethylideneammonio)ethylthio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: (5R,6R)-3-[2-(aminomethylideneazaniumyl)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: (5R,6R)-3-[2-(azanylmethylideneazaniumyl)ethylsulfanyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C12H17N3O4S
MOLECULAR WEIGHT: 299.34608
SMILES: C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])SCC[NH+]=CN)O
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Product OPENEYE NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-phenoxy-acetamide
CAS Name: 2-phenoxy-N-[(3R)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: 2-phenoxy-N-[(3R)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: C1C[C@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3R)-1-benzyl-3-piperidyl]-2-phenoxy-acetamide
CAS Name: 2-phenoxy-N-[(3R)-1-(phenylmethyl)-3-piperidinyl]acetamide
IUPAC NAME: N-[(3R)-1-benzylpiperidin-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: 2-phenoxy-N-[(3R)-1-(phenylmethyl)piperidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-phenoxy-acetamide
CAS Name: 2-phenoxy-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]acetamide
IUPAC NAME: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-phenoxyacetamide
SYSTEMATIC NAME: 2-phenoxy-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]ethanamide
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3
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