Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME: tert-butyl (NE)-N-[[4-[4-[[(E)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]anilino]anilino]-(tert-butoxycarbonylamino)methylene]carbamate
CAS Name: (NE)-N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[4-[4-[[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]anilino]anilino]methylidene]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl (NE)-N-[[4-[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]anilino]anilino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
SYSTEMATIC NAME: tert-butyl (NE)-N-[[[4-[[4-[[(E)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]amino]phenyl]amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
MOLECULAR FORMULA: C34H49N7O8
MOLECULAR WEIGHT: 683.79496
SMILES: CC(OC(=O)N/C(=N/C(=O)OC(C)(C)C)/NC1=CC=C(C=C1)NC2=CC=C(C=C2)N/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C
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Product OPENEYE NAME: 4-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 4-methoxy-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 4-methoxy-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 4-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: COC1=CC(=C(C=C1)NC2=NC=NC3=C2C=NC=C3)N
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Product OPENEYE NAME: 3-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-methoxy-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-methoxy-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-methoxy-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C14H13N5O
MOLECULAR WEIGHT: 267.28592
SMILES: COC1=CC=CC(=C1N)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide
CAS Name: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(4-morpholinylsulfonyl)benzamide
IUPAC NAME: 2,4-dichloro-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-(3-cyano-5-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-morpholin-4-ylsulfonyl-benzamide
MOLECULAR FORMULA: C26H23Cl2N3O4S2
MOLECULAR WEIGHT: 576.51452
SMILES: C1CC2=C(CC1C3=CC=CC=C3)C(=C(S2)NC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N5CCOCC5)C#N
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Product OPENEYE NAME: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
CAS Name: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
IUPAC NAME: 2-chloro-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-cyano-5-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C26H26ClN3O4S2
MOLECULAR WEIGHT: 544.08534
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C3=C(S2)CCC(C3)C4=CC=C(C=C4)O)C#N
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Product OPENEYE NAME: 3-[3-(trifluoromethyl)anilino]phthalic acid
CAS Name: 3-[3-(trifluoromethyl)anilino]phthalic acid
IUPAC NAME: 3-[3-(trifluoromethyl)anilino]phthalic acid
SYSTEMATIC NAME: 3-[[3-(trifluoromethyl)phenyl]amino]phthalic acid
MOLECULAR FORMULA: C15H10F3NO4
MOLECULAR WEIGHT: 325.23941
SMILES: C1=CC(=CC(=C1)NC2=CC=CC(=C2C(=O)O)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H82F2N4O3
MOLECULAR WEIGHT: 897.272086
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7=CC=C(C=C7)F)CC8=CC=C(C=C8)F
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Product OPENEYE NAME: methyl (2S)-6-(benzyloxycarbonylamino)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]hexanoate
CAS Name: (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[(5-methyl-1,1,3-trioxo-4-propyl-1,2,5-thiadiazolidin-2-yl)methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
SYSTEMATIC NAME: methyl (2S)-2-[[5-methyl-1,1,3-tris(oxidanylidene)-4-propyl-1,2,5-thiadiazolidin-2-yl]methylsulfonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
MOLECULAR FORMULA: C22H34N4O9S2
MOLECULAR WEIGHT: 562.65676
SMILES: CCCC1C(=O)N(S(=O)(=O)N1C)CS(=O)(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC
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Product OPENEYE NAME: (5R,7S)-1-benzyl-5-dodecanoyl-8-ethoxycarbonyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CAS Name: (5R,7S)-8-ethoxycarbonyl-5-hydroxy-5-(1-oxododecyl)-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
IUPAC NAME: (5R,7S)-1-benzyl-5-dodecanoyl-8-ethoxycarbonyl-5-hydroxy-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SYSTEMATIC NAME: (5R,7S)-5-dodecanoyl-8-ethoxycarbonyl-5-oxidanyl-1-(phenylmethyl)-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
MOLECULAR FORMULA: C30H44N2O6
MOLECULAR WEIGHT: 528.68016
SMILES: CCCCCCCCCCCC(=O)[C@@]1(C[C@@H](C(=C2N1CCN2CC3=CC=CC=C3)C(=O)OCC)C(=O)O)O
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Product OPENEYE NAME: (4-amino-2-pyridyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-amino-2-pyridinyl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-aminopyridin-2-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-azanylpyridin-2-yl)-[3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H34N4O3
MOLECULAR WEIGHT: 486.60526
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=NC=CC(=C5)N
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methyl-1-piperazinyl)methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[(4-methylpiperazin-1-yl)methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H38N2O8
MOLECULAR WEIGHT: 530.60992
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenylpiperazin-1-yl)methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenyl-1-piperazinyl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-phenylpiperazin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-phenylpiperazin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H40N2O8
MOLECULAR WEIGHT: 592.6793
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6=CC=CC=C6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)-4-piperidyl]-3,4-dihydroquinazolin-2-one
CAS Name: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)-4-piperidinyl]-3,4-dihydroquinazolin-2-one
IUPAC NAME: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-ethylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-5-(2-chloranyl-4-fluoranyl-phenyl)-7-[1-(1-ethylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
MOLECULAR FORMULA: C30H29Cl3FN3O
MOLECULAR WEIGHT: 572.928163
SMILES: CCC1(CC1)N2CCC(CC2)C3=CC4=C(CNC(=O)N4C5=C(C=CC=C5Cl)Cl)C(=C3)C6=C(C=C(C=C6)F)Cl
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Product OPENEYE NAME: 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)-4-piperidyl]-3,4-dihydroquinazolin-2-one
CAS Name: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)-4-piperidinyl]-3,4-dihydroquinazolin-2-one
IUPAC NAME: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]-5-(2-chloranyl-4-fluoranyl-phenyl)-7-[1-(1-methylcyclopropyl)piperidin-4-yl]-3,4-dihydroquinazolin-2-one
MOLECULAR FORMULA: C29H27Cl3FN3O
MOLECULAR WEIGHT: 558.901583
SMILES: CC1(CC1)N2CCC(CC2)C3=CC4=C(CNC(=O)N4C5=C(C=CC=C5Cl)Cl)C(=C3)C6=C(C=C(C=C6)F)Cl
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Product OPENEYE NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
CAS Name: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
IUPAC NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
SYSTEMATIC NAME: (3S,3aS,5S,6aR,9S,9aR,9bS)-3,9-dimethyl-6-methylidene-5-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@H]1[C@@H]2C[C@@H](C(=C)[C@@H]3CC(=O)[C@H]([C@@H]3[C@H]2OC1=O)C)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C[C@H]1CCC[C@@]2([C@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
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Product OPENEYE NAME: N-(o-tolyl)imidazo[1,5-a]quinoxaline-4-carboxamide
CAS Name: N-(2-methylphenyl)-4-imidazo[1,5-a]quinoxalinecarboxamide
IUPAC NAME: N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
MOLECULAR FORMULA: C18H14N4O
MOLECULAR WEIGHT: 302.32996
SMILES: CC1=CC=CC=C1NC(=O)C2=NC3=CC=CC=C3N4C2=CN=C4
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Product OPENEYE NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
CAS Name: N-(2-bromophenyl)-4-imidazo[1,5-a]quinoxalinecarboxamide
IUPAC NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
SYSTEMATIC NAME: N-(2-bromophenyl)imidazo[1,5-a]quinoxaline-4-carboxamide
MOLECULAR FORMULA: C17H11BrN4O
MOLECULAR WEIGHT: 367.19944
SMILES: C1=CC=C2C(=C1)N=C(C3=CN=CN23)C(=O)NC4=CC=CC=C4Br
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H47N3O8
MOLECULAR WEIGHT: 613.74158
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6CCN(CC6)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexyl-1-piperazinyl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-cyclohexylpiperazin-1-yl)methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H46N2O8
MOLECULAR WEIGHT: 598.72694
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)C6CCCCC6)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-benzylpiperazin-1-yl)methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[[4-(phenylmethyl)-1-piperazinyl]methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[(4-benzylpiperazin-1-yl)methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[[4-(phenylmethyl)piperazin-1-yl]methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C34H42N2O8
MOLECULAR WEIGHT: 606.70588
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCN(CC5)CC6=CC=CC=C6)/C4=C(C3=O)O)COC)C)C
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