Thursday, February 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C
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Product OPENEYE NAME: N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(2-fluorophenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(2-fluorophenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18FN3OS
MOLECULAR WEIGHT: 367.439823
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC=CC=C3F
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Product OPENEYE NAME: methyl (2S)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate
CAS Name: (2S)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C23H23N3O3S
MOLECULAR WEIGHT: 421.51202
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(2,6-diethylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,6-diethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C24H28N2O4
MOLECULAR WEIGHT: 408.49012
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1R)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl (2R)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate
CAS Name: (2R)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-3-phenyl-propanoate
MOLECULAR FORMULA: C23H23N3O3S
MOLECULAR WEIGHT: 421.51202
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: [2-(3,4-dihydro-1H-isoquinolin-2-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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3
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Product OPENEYE NAME: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C26H25NO4
MOLECULAR WEIGHT: 415.481
SMILES: C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(2-isopropylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=CC=CC=C3C(C)C
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Product OPENEYE NAME: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dimethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
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Product OPENEYE NAME: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@@H](C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(cyclopentylamino)-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopentylamino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H24N2O4
MOLECULAR WEIGHT: 344.40486
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3CCCC3
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Product OPENEYE NAME: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C[C@H](C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: C[C@H](C(=O)NCC(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] ester
IUPAC NAME: [2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C20H17F3N2O4
MOLECULAR WEIGHT: 406.35519
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC3=C(C(=C(C=C3)F)F)F
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Product OPENEYE NAME: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(2,4-dimethylanilino)-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-dimethylanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-dimethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 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)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C)C
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Product OPENEYE NAME: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C25H23NO5
MOLECULAR WEIGHT: 417.45382
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[[(2S)-2-oxolanyl]methylamino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC[C@@H]3CCCO3
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Product OPENEYE NAME: [(1S)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H17ClN2O4
MOLECULAR WEIGHT: 408.83438
SMILES: C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester
IUPAC NAME: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)NC[C@H]3CCCO3
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Product OPENEYE NAME: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-benzoylbenzoate
CAS Name: 4-benzoylbenzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
SYSTEMATIC NAME: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C22H17ClN2O4
MOLECULAR WEIGHT: 408.83438
SMILES: C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
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