Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-[2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]oxyacetyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]oxyacetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonyloxyethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C21H26N2O6
MOLECULAR WEIGHT: 402.44094
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H24N2O5
MOLECULAR WEIGHT: 372.41496
SMILES: C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester
IUPAC NAME: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H15N3O5S
MOLECULAR WEIGHT: 397.4045
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CO4
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Product OPENEYE NAME: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H24N2O5
MOLECULAR WEIGHT: 372.41496
SMILES: C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H23N3O5S
MOLECULAR WEIGHT: 417.47872
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC3CCCC3
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Product OPENEYE NAME: [(1R)-1-methyl-2-(4-methylanilino)-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-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C18H19N3O5
MOLECULAR WEIGHT: 357.36056
SMILES: C[C@H](C(=O)N(C)CCC#N)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H17N3O5S
MOLECULAR WEIGHT: 387.40968
SMILES: CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1S)-1-methyl-2-(4-methylanilino)-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-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1R)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: C[C@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C17H19N3O5S
MOLECULAR WEIGHT: 377.41486
SMILES: CCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1OCC2=CSC(=N2)C
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Product OPENEYE NAME: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H26N2O5
MOLECULAR WEIGHT: 374.43084
SMILES: C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [(1S)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19FN2O4S
MOLECULAR WEIGHT: 414.449963
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@@H](C)C(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H23N3O6
MOLECULAR WEIGHT: 389.40242
SMILES: C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H19FN2O4S
MOLECULAR WEIGHT: 414.449963
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: [2-[2-(2,4-dioxothiazolidin-3-yl)ethylamino]-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[2-(2,4-dioxo-3-thiazolidinyl)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H21N3O6S
MOLECULAR WEIGHT: 419.45154
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NCCN3C(=O)CSC3=O
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Product OPENEYE NAME: [2-(2-chlorophenyl)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C20H16ClNO4S
MOLECULAR WEIGHT: 401.86334
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C19H23N3O6
MOLECULAR WEIGHT: 389.40242
SMILES: C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: [2-(dimethylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(dimethylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C16H18N2O4S
MOLECULAR WEIGHT: 334.39012
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N(C)C
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Product OPENEYE NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
IUPAC NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4
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