Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl ester
IUPAC NAME: (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 4-benzoylbenzoate
SYSTEMATIC NAME: (7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H15N3O4S
MOLECULAR WEIGHT: 405.4265
SMILES: CC1=CC(=O)N2C(=N1)SC(=N2)COC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H26N2O4S
MOLECULAR WEIGHT: 402.50714
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCC3CCCCC3
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Product OPENEYE NAME: [2-(3-ethylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-benzoylbenzoate
SYSTEMATIC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H14N2O4S
MOLECULAR WEIGHT: 390.41186
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4
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Product OPENEYE NAME: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21FN2O4
MOLECULAR WEIGHT: 384.400843
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)F
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Product OPENEYE NAME: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C
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Product OPENEYE NAME: [2-(4-ethylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(4-ethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-ethylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C
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Product OPENEYE NAME: [2-[benzyl(methyl)amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N(C)CC3=CC=CC=C3
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Product OPENEYE NAME: (5-chloro-2-methoxy-phenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid (5-chloro-2-methoxyphenyl)methyl ester
IUPAC NAME: (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: (5-chloranyl-2-methoxy-phenyl)methyl 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H16ClNO5
MOLECULAR WEIGHT: 373.78704
SMILES: COC1=C(C=C(C=C1)Cl)COC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C
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Product OPENEYE NAME: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C)C
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Product OPENEYE NAME: [(1S)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C16H16N2O7
MOLECULAR WEIGHT: 348.30744
SMILES: C[C@@H](C(=O)NC(=O)OC)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H20N2O5S
MOLECULAR WEIGHT: 412.4589
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)OC
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Product OPENEYE NAME: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C16H16N2O7
MOLECULAR WEIGHT: 348.30744
SMILES: C[C@H](C(=O)NC(=O)OC)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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