Tuesday, March 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H21N3O5
MOLECULAR WEIGHT: 407.41924
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H21N3O5
MOLECULAR WEIGHT: 407.41924
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1S)-1-(cyclohexylcarbamoyl)propyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2S)-1-(cyclohexylamino)-1-oxobutan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2S)-1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H27N3O4
MOLECULAR WEIGHT: 397.46748
SMILES: CC[C@@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1R)-1-(cyclohexylcarbamoyl)propyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2R)-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H27N3O4
MOLECULAR WEIGHT: 397.46748
SMILES: CC[C@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1S)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-propyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2S)-1-[(4-methoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H25N3O5
MOLECULAR WEIGHT: 435.4724
SMILES: CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1R)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-propyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2R)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2R)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2R)-1-[(4-methoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H25N3O5
MOLECULAR WEIGHT: 435.4724
SMILES: CC(C)[C@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1S,2R)-1-(cyclohexylcarbamoyl)-2-methyl-butyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2S,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2S,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2S,3R)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H31N3O4
MOLECULAR WEIGHT: 425.52064
SMILES: CC[C@@H](C)[C@@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1S,2S)-1-(cyclohexylcarbamoyl)-2-methyl-butyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2S,3S)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2S,3S)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2S,3S)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H31N3O4
MOLECULAR WEIGHT: 425.52064
SMILES: CC[C@H](C)[C@@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1R,2R)-1-(cyclohexylcarbamoyl)-2-methyl-butyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2R,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2R,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2R,3R)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H31N3O4
MOLECULAR WEIGHT: 425.52064
SMILES: CC[C@@H](C)[C@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[(1R,2S)-1-(cyclohexylcarbamoyl)-2-methyl-butyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[(2R,3S)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[(2R,3S)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[(2R,3S)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C24H31N3O4
MOLECULAR WEIGHT: 425.52064
SMILES: CC[C@H](C)[C@H](C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[2-[[3-(1-naphthylamino)-3-oxo-propyl]carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[2-[[[3-(1-naphthalenylamino)-3-oxopropyl]amino]-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[2-[[3-(naphthalen-1-ylamino)-3-oxopropyl]carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[2-[[3-(naphthalen-1-ylamino)-3-oxidanylidene-propyl]carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C25H21N3O4
MOLECULAR WEIGHT: 427.45194
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)CCNC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4
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Product OPENEYE NAME: ethyl 2-(2-methyl-4-oxo-quinazolin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-(2-methyl-4-oxo-3-quinazolinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2-methyl-4-oxoquinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C20H20N2O3S
MOLECULAR WEIGHT: 368.4494
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=NC4=CC=CC=C4C3=O)C
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Product OPENEYE NAME: (2S)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide
CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide
IUPAC NAME: (2S)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SYSTEMATIC NAME: (2S)-N-(1,3-benzothiazol-2-yl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC(C)C[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: (2R)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide
CAS Name: (2R)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide
IUPAC NAME: (2R)-N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SYSTEMATIC NAME: (2R)-N-(1,3-benzothiazol-2-yl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC(C)C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-ethyl-6-phenyl-1H-pyrimidin-4-one
CAS Name: 2-ethyl-6-phenyl-1H-pyrimidin-4-one
IUPAC NAME: 2-ethyl-6-phenyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-ethyl-6-phenyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CCC1=NC(=O)C=C(N1)C2=CC=CC=C2
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Product OPENEYE NAME: N-[(4aS,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(1-naphthyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aS,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(1-naphthalenyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aS,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-naphthalen-1-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aS,6R,7S,8S,8aR)-2,2-dimethyl-6-naphthalen-1-yloxy-8-oxidanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: CC(=O)N[C@H]1[C@@H]([C@@H]2[C@H](COC(O2)(C)C)O[C@@H]1OC3=CC=CC4=CC=CC=C43)O
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Product OPENEYE NAME: N-[(4aS,6R,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-naphthyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aS,6R,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-naphthalenyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aS,6R,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aS,6R,7R,8S,8aS)-2,2-dimethyl-6-naphthalen-2-yloxy-8-oxidanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]2[C@H](COC(O2)(C)C)O[C@@H]1OC3=CC4=CC=CC=C4C=C3)O
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Product OPENEYE NAME: N-[(4aS,6S,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aS,6S,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aS,6S,7R,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aS,6S,7R,8S,8aS)-2,2-dimethyl-6-(4-methylphenoxy)-8-oxidanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C18H25NO6
MOLECULAR WEIGHT: 351.3942
SMILES: CC1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H]3[C@@H](O2)COC(O3)(C)C)O)NC(=O)C
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Product OPENEYE NAME: N-[(4aR,6S,7R,8S,8aS)-6-(4-acetylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aR,6S,7R,8S,8aS)-6-(4-acetylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aR,6S,7R,8S,8aS)-6-(4-acetylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aR,6S,7R,8S,8aS)-6-(4-ethanoylphenoxy)-2,2-dimethyl-8-oxidanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C19H25NO7
MOLECULAR WEIGHT: 379.4043
SMILES: CC(=O)C1=CC=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H]3[C@H](O2)COC(O3)(C)C)O)NC(=O)C
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Product OPENEYE NAME: N-[(4aR,6R,7R,8S,8aR)-6-(4-chlorophenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CAS Name: N-[(4aR,6R,7R,8S,8aR)-6-(4-chlorophenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
IUPAC NAME: N-[(4aR,6R,7R,8S,8aR)-6-(4-chlorophenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SYSTEMATIC NAME: N-[(4aR,6R,7R,8S,8aR)-6-(4-chloranylphenoxy)-2,2-dimethyl-8-oxidanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide
MOLECULAR FORMULA: C17H22ClNO6
MOLECULAR WEIGHT: 371.81268
SMILES: CC(=O)N[C@@H]1[C@@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OC3=CC=C(C=C3)Cl)O
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Product OPENEYE NAME: N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CAS Name: N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
IUPAC NAME: N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SYSTEMATIC NAME: N-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MOLECULAR FORMULA: C15H11Cl2NO3
MOLECULAR WEIGHT: 324.15874
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl
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Product OPENEYE NAME: (3S)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3=CC=CC=C3OC
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Product OPENEYE NAME: (3R)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCC3=CC=CC=C3OC
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