Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 1-(3-phenoxybenzoyl)piperidine-3-carboxylate
CAS Name: 1-[oxo-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(3-phenoxybenzoyl)piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-phenoxyphenyl)carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C21H23NO4
MOLECULAR WEIGHT: 353.41162
SMILES: CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3
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Product OPENEYE NAME: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-(2-nitroanilino)urea
CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(2-nitroanilino)urea
IUPAC NAME: 1-(2-nitroanilino)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SYSTEMATIC NAME: 1-[(2-nitrophenyl)amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
MOLECULAR FORMULA: C19H22N4O3
MOLECULAR WEIGHT: 354.40298
SMILES: CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NNC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]pent-4-enoylamino]-2-phenyl-ethyl] 2-benzylhept-6-enoate
CAS Name: 2-(phenylmethyl)-6-heptenoic acid [2-[[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-oxopent-4-enyl]amino]-2-phenylethyl] ester
IUPAC NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]pent-4-enoylamino]-2-phenylethyl] 2-benzylhept-6-enoate
SYSTEMATIC NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]pent-4-enoylamino]-2-phenyl-ethyl] 2-(phenylmethyl)hept-6-enoate
MOLECULAR FORMULA: C39H46N2O5
MOLECULAR WEIGHT: 622.79294
SMILES: C=CCCCC(CC1=CC=CC=C1)C(=O)OCC(C2=CC=CC=C2)NC(=O)C(CC=C)CC(=O)N3CC4=CC=CC=C4CC3CO
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Product OPENEYE NAME: 2-allyl-N'-(1-benzyl-2-hydroxy-ethyl)-N-[2-hydroxy-1-(methoxymethyl)-2-phenyl-ethyl]butanediamide
CAS Name: N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
IUPAC NAME: N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
SYSTEMATIC NAME: N-(3-methoxy-1-oxidanyl-1-phenyl-propan-2-yl)-N'-(1-oxidanyl-3-phenyl-propan-2-yl)-2-prop-2-enyl-butanediamide
MOLECULAR FORMULA: C26H34N2O5
MOLECULAR WEIGHT: 454.55856
SMILES: COCC(C(C1=CC=CC=C1)O)NC(=O)C(CC=C)CC(=O)NC(CC2=CC=CC=C2)CO
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Product OPENEYE NAME: 2-(11-benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)-N-[1-[(4-benzyloxyphenyl)methyl]-2-hydroxy-ethyl]acetamide
CAS Name: 2-[5,12-dioxo-2-phenyl-11-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide
IUPAC NAME: 2-(11-benzyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)-N-[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide
SYSTEMATIC NAME: 2-[5,12-bis(oxidanylidene)-2-phenyl-11-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-[1-oxidanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]ethanamide
MOLECULAR FORMULA: C41H44N2O6
MOLECULAR WEIGHT: 660.79786
SMILES: C1C=CCC(C(=O)NCC(OC(=O)C1CC2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC(CC4=CC=C(C=C4)OCC5=CC=CC=C5)CO
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Product OPENEYE NAME: N-benzyl-2-[13-benzyl-3-(benzylsulfanylmethyl)-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CAS Name: 2-[5,14-dioxo-13-(phenylmethyl)-3-[(phenylmethylthio)methyl]-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[13-benzyl-3-(benzylsulfanylmethyl)-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
SYSTEMATIC NAME: 2-[5,14-bis(oxidanylidene)-13-(phenylmethyl)-3-[(phenylmethylsulfanyl)methyl]-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C38H46N2O5S
MOLECULAR WEIGHT: 642.84724
SMILES: C1CC=CCC(C(=O)NC(COC(=O)C(C1)CC2=CC=CC=C2)CSCC3=CC=CC=C3)CC(=O)N(CCO)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-(3-chloro-4-fluoro-phenyl)-7-(4-hydroxy-3,5-dimethyl-phenyl)-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-dione
CAS Name: 2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-(4-hydroxy-3,5-dimethylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione
IUPAC NAME: 2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-(4-hydroxy-3,5-dimethylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-chloranyl-4-fluoranyl-phenyl)-7-(3,5-dimethyl-4-oxidanyl-phenyl)-6-ethenyl-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione
MOLECULAR FORMULA: C25H23ClFNO3
MOLECULAR WEIGHT: 439.906423
SMILES: CC1=CC(=CC(=C1O)C)C2C(=CCC3C2(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)C)C=C
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Product OPENEYE NAME: dimethyl 6-(5-bromo-2-hydroxy-phenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-2,8-dicarboxylate
CAS Name: 6-(5-bromo-2-hydroxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-2,8-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 6-(5-bromo-2-hydroxyphenyl)-1,3,7,9-tetraoxo-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-2,8-dicarboxylate
SYSTEMATIC NAME: dimethyl 6-(5-bromanyl-2-oxidanyl-phenyl)-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-2,8-dicarboxylate
MOLECULAR FORMULA: C24H21BrN2O9
MOLECULAR WEIGHT: 561.33554
SMILES: COC(=O)N1C(=O)C2CC=C3C(C2C1=O)CC4C(C3C5=C(C=CC(=C5)Br)O)C(=O)N(C4=O)C(=O)OC
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Product OPENEYE NAME: 6-(4-hydroxy-2-methoxy-phenyl)-2,8-bis(4-iodophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6-(4-hydroxy-2-methoxyphenyl)-2,8-bis(4-iodophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 6-(4-hydroxy-2-methoxyphenyl)-2,8-bis(4-iodophenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2,8-bis(4-iodophenyl)-6-(2-methoxy-4-oxidanyl-phenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C33H26I2N2O6
MOLECULAR WEIGHT: 800.37828
SMILES: COC1=C(C=CC(=C1)O)C2C3C(CC4C2=CCC5C4C(=O)N(C5=O)C6=CC=C(C=C6)I)C(=O)N(C3=O)C7=CC=C(C=C7)I
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Product OPENEYE NAME: 2,8-bis[4-[2-(2,5-dimethoxyphenyl)vinyl]phenyl]-6-(4-hydroxy-1-naphthyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 2,8-bis[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxy-1-naphthalenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2,8-bis[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-hydroxynaphthalen-1-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2,8-bis[4-[2-(2,5-dimethoxyphenyl)ethenyl]phenyl]-6-(4-oxidanylnaphthalen-1-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C56H48N2O9
MOLECULAR WEIGHT: 892.98832
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)C4CC=C5C(C4C3=O)CC6C(C5C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C6=O)C9=CC=C(C=C9)C=CC1=C(C=CC(=C1)OC)OC
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Product OPENEYE NAME: N-(o-tolyl)piperidine-1-carboxamide
CAS Name: N-(2-methylphenyl)-1-piperidinecarboxamide
IUPAC NAME: N-(2-methylphenyl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1=CC=CC=C1NC(=O)N2CCCCC2
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Product OPENEYE NAME: N-(2-methyl-6-nitro-phenyl)benzamide
CAS Name: N-(2-methyl-6-nitrophenyl)benzamide
IUPAC NAME: N-(2-methyl-6-nitrophenyl)benzamide
SYSTEMATIC NAME: N-(2-methyl-6-nitro-phenyl)benzamide
MOLECULAR FORMULA: C14H12N2O3
MOLECULAR WEIGHT: 256.25668
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-(3-methoxypropyl)furan-2-carboxamide
CAS Name: N-(3-methoxypropyl)-2-furancarboxamide
IUPAC NAME: N-(3-methoxypropyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(3-methoxypropyl)furan-2-carboxamide
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: COCCCNC(=O)C1=CC=CO1
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Product OPENEYE NAME: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-2-(4-nitropyrazol-1-yl)acetamide
CAS Name: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitro-1-pyrazolyl)acetamide
IUPAC NAME: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SYSTEMATIC NAME: N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide
MOLECULAR FORMULA: C19H16ClN5O4
MOLECULAR WEIGHT: 413.81444
SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=NNC(=O)CN3C=C(C=N3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: methyl-diphenyl-[2,3,5-trichloro-4-[methyl(diphenyl)silyl]phenyl]silane
CAS Name: methyl-diphenyl-[2,3,5-trichloro-4-[methyl(diphenyl)silyl]phenyl]silane
IUPAC NAME: methyl-diphenyl-[2,3,5-trichloro-4-[methyl(diphenyl)silyl]phenyl]silane
SYSTEMATIC NAME: methyl-diphenyl-[2,3,5-tris(chloranyl)-4-[methyl(diphenyl)silyl]phenyl]silane
MOLECULAR FORMULA: C32H27Cl3Si2
MOLECULAR WEIGHT: 574.08678
SMILES: C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC(=C(C(=C3Cl)Cl)[Si](C)(C4=CC=CC=C4)C5=CC=CC=C5)Cl
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Product OPENEYE NAME: chloro(trioctadecyl)plumbane
CAS Name: chloro(trioctadecyl)plumbane
IUPAC NAME: chloro(trioctadecyl)plumbane
SYSTEMATIC NAME: chloranyl(trioctadecyl)plumbane
MOLECULAR FORMULA: C54H111ClPb
MOLECULAR WEIGHT: 1003.11214
SMILES: CCCCCCCCCCCCCCCCCC[Pb](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)Cl
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Product OPENEYE NAME: N-benzyl-N-[(4-butoxyphenyl)methyleneamino]aniline
CAS Name: N-[(4-butoxyphenyl)methylideneamino]-N-(phenylmethyl)aniline
IUPAC NAME: N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
SYSTEMATIC NAME: N-[(4-butoxyphenyl)methylideneamino]-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C24H26N2O
MOLECULAR WEIGHT: 358.47604
SMILES: CCCCOC1=CC=C(C=C1)C=NN(CC2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: butyl N-(4-chlorophenyl)-N-hydroxy-carbamate
CAS Name: N-(4-chlorophenyl)-N-hydroxycarbamic acid butyl ester
IUPAC NAME: butyl N-(4-chlorophenyl)-N-hydroxycarbamate
SYSTEMATIC NAME: butyl N-(4-chlorophenyl)-N-oxidanyl-carbamate
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: CCCCOC(=O)N(C1=CC=C(C=C1)Cl)O
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Product OPENEYE NAME: N-[[3-(2-furyl)-2-methyl-prop-2-enylidene]amino]-2-(4-propylphenyl)quinoline-4-carboxamide
CAS Name: N-[[3-(2-furanyl)-2-methylprop-2-enylidene]amino]-2-(4-propylphenyl)-4-quinolinecarboxamide
IUPAC NAME: N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-(4-propylphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-[[3-(furan-2-yl)-2-methyl-prop-2-enylidene]amino]-2-(4-propylphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C27H25N3O2
MOLECULAR WEIGHT: 423.5063
SMILES: CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC(=CC4=CC=CO4)C
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