Friday, March 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H21NO6
MOLECULAR WEIGHT: 395.40524
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: [2-(3-methylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(3-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-methylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1S)-2-[(1-cyanocyclohexyl)-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-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H25N3O5
MOLECULAR WEIGHT: 411.451
SMILES: C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(2,6-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(=CC=C1)C)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C19H18N2O5S
MOLECULAR WEIGHT: 386.42162
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3
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Product OPENEYE NAME: [(1R)-2-[(1-cyanocyclohexyl)-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-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H25N3O5
MOLECULAR WEIGHT: 411.451
SMILES: C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-(2-methoxyphenyl)-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-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methoxyphenyl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)C3=CC=CC=C3OC
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Product OPENEYE NAME: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-cyanoanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H17N3O4S
MOLECULAR WEIGHT: 407.44238
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC=C3C#N
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Product OPENEYE NAME: [(1S)-2-(2-chloroanilino)-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-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H17ClN2O5
MOLECULAR WEIGHT: 400.81238
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: (5-acetyl-2-methoxy-phenyl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester
IUPAC NAME: (5-acetyl-2-methoxyphenyl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H23NO5
MOLECULAR WEIGHT: 381.42172
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC
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Product OPENEYE NAME: [2-(4-methylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C
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Product OPENEYE NAME: [(1R)-2-(2-chloroanilino)-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-chloroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C20H17ClN2O5
MOLECULAR WEIGHT: 400.81238
SMILES: C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: (2-oxo-2-ureido-ethyl) 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(carbamoylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC(=O)N
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Product OPENEYE NAME: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C21H17N3O4S
MOLECULAR WEIGHT: 407.44238
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N
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Product OPENEYE NAME: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: 1,3-benzothiazol-2-ylmethyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC NAME: 1,3-benzothiazol-2-ylmethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H18N2O3S
MOLECULAR WEIGHT: 366.43352
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C17H18N2O4S
MOLECULAR WEIGHT: 346.40082
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NC3CC3
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Product OPENEYE NAME: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3C(=O)CCC3=O
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Product OPENEYE NAME: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O6
MOLECULAR WEIGHT: 412.43576
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C22H22N2O4S
MOLECULAR WEIGHT: 410.48608
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CSC(=N3)C)C
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Product OPENEYE NAME: [(1S)-2-(2-methoxyethylamino)-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-methoxyethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C17H20N2O6
MOLECULAR WEIGHT: 348.3505
SMILES: C[C@@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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Product OPENEYE NAME: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[(2-methylthiazol-4-yl)methoxy]benzoate
CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester
IUPAC NAME: (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C18H20N2O4S
MOLECULAR WEIGHT: 360.4274
SMILES: CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)N3CCCC3
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Product OPENEYE NAME: [2-(2-ethyl-6-methyl-anilino)-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-ethyl-6-methylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C
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Product OPENEYE NAME: [(1R)-2-(2-methoxyethylamino)-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-methoxyethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
MOLECULAR FORMULA: C17H20N2O6
MOLECULAR WEIGHT: 348.3505
SMILES: C[C@H](C(=O)NCCOC)OC(=O)C1=CC=C(C=C1)N2C(=O)CCC2=O
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