Monday, May 20, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 3-pyrrol-1-yl-N-[(4-ureidophenyl)methyl]thiophene-2-carboxamide
CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[[4-(carbamoylamino)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[[4-(aminocarbonylamino)phenyl]methyl]-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C17H16N4O2S
MOLECULAR WEIGHT: 340.39954
SMILES: C1=CN(C=C1)C2=C(SC=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: (1-methylpiperidin-1-ium-4-yl) 2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid (1-methyl-4-piperidin-1-iumyl) ester
IUPAC NAME: (1-methylpiperidin-1-ium-4-yl) 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: (1-methylpiperidin-1-ium-4-yl) 2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C19H24NO5+
MOLECULAR WEIGHT: 346.39756
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)OC3CC[NH+](CC3)C
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Product OPENEYE NAME: (1-methyl-4-piperidyl) 2-(4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetate
CAS Name: 2-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid (1-methyl-4-piperidinyl) ester
IUPAC NAME: (1-methylpiperidin-4-yl) 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)OC3CCN(CC3)C
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Product OPENEYE NAME: (1-methylpiperidin-1-ium-4-yl) 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CAS Name: 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid (1-methyl-4-piperidin-1-iumyl) ester
IUPAC NAME: (1-methylpiperidin-1-ium-4-yl) 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SYSTEMATIC NAME: (1-methylpiperidin-1-ium-4-yl) 6,11-bis(oxidanylidene)naphtho[2,3-b]indolizine-12-carboxylate
MOLECULAR FORMULA: C23H21N2O4+
MOLECULAR WEIGHT: 389.42384
SMILES: C[NH+]1CCC(CC1)OC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: (1-methyl-4-piperidyl) 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CAS Name: 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid (1-methyl-4-piperidinyl) ester
IUPAC NAME: (1-methylpiperidin-4-yl) 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 6,11-bis(oxidanylidene)naphtho[2,3-b]indolizine-12-carboxylate
MOLECULAR FORMULA: C23H20N2O4
MOLECULAR WEIGHT: 388.4159
SMILES: CN1CCC(CC1)OC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=CC=CC=C5C4=O
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Product OPENEYE NAME: [(3R)-1,1-dioxothiolan-3-yl]-[(2R)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-(2-furylmethyl)ammonium
CAS Name: [(3R)-1,1-dioxo-3-thiolanyl]-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-(2-furanylmethyl)ammonium
IUPAC NAME: [(3R)-1,1-dioxothiolan-3-yl]-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: [(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2R)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C18H23FNO5S+
MOLECULAR WEIGHT: 384.442323
SMILES: C1CS(=O)(=O)C[C@@H]1[NH+](CC2=CC=CO2)C[C@H](COC3=CC=CC=C3F)O
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Product OPENEYE NAME: (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(2-furylmethyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CAS Name: (2R)-1-[[(3R)-1,1-dioxo-3-thiolanyl]-(2-furanylmethyl)amino]-3-(2-fluorophenoxy)-2-propanol
IUPAC NAME: (2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(2-fluorophenoxy)propan-2-ol
SYSTEMATIC NAME: (2R)-1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(2-fluoranylphenoxy)propan-2-ol
MOLECULAR FORMULA: C18H22FNO5S
MOLECULAR WEIGHT: 383.434383
SMILES: C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3F)O
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Product OPENEYE NAME: [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-3-(2-fluorophenoxy)-2-hydroxy-propyl]-(2-furylmethyl)ammonium
CAS Name: [(3R)-1,1-dioxo-3-thiolanyl]-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-(2-furanylmethyl)ammonium
IUPAC NAME: [(3R)-1,1-dioxothiolan-3-yl]-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: [(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C18H23FNO5S+
MOLECULAR WEIGHT: 384.442323
SMILES: C1CS(=O)(=O)C[C@@H]1[NH+](CC2=CC=CO2)C[C@@H](COC3=CC=CC=C3F)O
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Product OPENEYE NAME: (2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(2-furylmethyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CAS Name: (2S)-1-[[(3R)-1,1-dioxo-3-thiolanyl]-(2-furanylmethyl)amino]-3-(2-fluorophenoxy)-2-propanol
IUPAC NAME: (2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(2-fluorophenoxy)propan-2-ol
SYSTEMATIC NAME: (2S)-1-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-(furan-2-ylmethyl)amino]-3-(2-fluoranylphenoxy)propan-2-ol
MOLECULAR FORMULA: C18H22FNO5S
MOLECULAR WEIGHT: 383.434383
SMILES: C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CO2)C[C@@H](COC3=CC=CC=C3F)O
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Product OPENEYE NAME: [(2R)-3-(2-allylphenoxy)-2-hydroxy-propyl]-[(3R)-1,1-dioxothiolan-3-yl]-(2-furylmethyl)ammonium
CAS Name: [(3R)-1,1-dioxo-3-thiolanyl]-(2-furanylmethyl)-[(2R)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]ammonium
IUPAC NAME: [(3R)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)-[(2R)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
SYSTEMATIC NAME: [(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-(furan-2-ylmethyl)-[(2R)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium
MOLECULAR FORMULA: C21H28NO5S+
MOLECULAR WEIGHT: 406.51572
SMILES: C=CCC1=CC=CC=C1OC[C@@H](C[NH+](CC2=CC=CO2)[C@@H]3CCS(=O)(=O)C3)O
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