CAS RN: 133352-27-9
CAS Name: 2-[(4Z,8E,12E,16E)-21-[5,6-dihydroxy-1-[(5-hydroxy-3-oxo-1,2-dihydropyrrol-4-yl)-oxomethyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylheneicosa-4,8,12,16-tetraenyl]-1-pyrrolidinecarboximidamid
OPENEYE Name: 2-[(4Z,8E,12E,16E)-21-[5,6-dihydroxy-1-(5-hydroxy-3-oxo-1,2-dihydropyrrole-4-carbonyl)-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-henicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboxamidine
IUPAC Name: 2-[(4Z,8E,12E,16E)-21-[5,6-dihydroxy-1-(5-hydroxy-3-oxo-1,2-dihydropyrrole-4-carbonyl)-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide
SYSTEMATIC NAME: 2-[(4Z,8E,12E,16E)-21-[1,3-dimethyl-5,6-bis(oxidanyl)-1-[(5-oxidanyl-3-oxidanylidene-1,2-dihydropyrrol-4-yl)carbonyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-5,11,17,19-tetramethyl-2,6,10,14,18-pentakis(oxidanyl)henicosa-4,8,12,16-tetraenyl]pyrrolidin
MOLECULAR FORMULA: C47H74N4O10
MOLECULAR WEIGHT: 855.11126
SMILES: CC1=CC2C(CCC(C2O)O)C(C1CCC(C)C(/C(=C/CC(/C=C/C(C)C(/C=C/CC(/C(=C\CC(CC3CCCN3C(=N)N)O)/C)O)O)O)/C)O)(C)C(=O)C4=C(NCC4=O)O
Structure:
CAS RN: 133301-13-0
CAS Name: (10E)-12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyldodeca-2,10-diene-4,8-dione
OPENEYE Name: (10E)-12-(2-hydroxy-5-methoxy-3-methyl-phenyl)-2,10-dimethyl-dodeca-2,10-diene-4,8-dione
IUPAC Name: (10E)-12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyldodeca-2,10-diene-4,8-dione
SYSTEMATIC NAME: (10E)-12-(5-methoxy-3-methyl-2-oxidanyl-phenyl)-2,10-dimethyl-dodeca-2,10-diene-4,8-dione
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)CCCC(=O)C=C(C)C)OC
Structure:
CAS RN: 133191-08-9
CAS Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-[3-(4-azido-2-nitroanilino)propoxy]-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-2-heptanol
OPENEYE Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-[3-(4-azido-2-nitro-anilino)propoxy]-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
IUPAC Name: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-[3-(4-azido-2-nitroanilino)propoxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SYSTEMATIC NAME: (6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-[3-[(4-azido-2-nitro-phenyl)amino]propoxy]-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptan-2-ol
MOLECULAR FORMULA: C36H53N5O4
MOLECULAR WEIGHT: 619.83712
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-])C
Structure:
CAS RN: 133190-94-0
CAS Name: (E)-7-[3-[(4-azido-3-iodophenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[(4-azido-3-iodo-phenyl)sulfonylamino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[(4-azido-3-iodophenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[(4-azido-3-iodanyl-phenyl)sulfonylamino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H29IN4O4S
MOLECULAR WEIGHT: 572.45953
SMILES: CC1(C2CC1C(C(C2)NS(=O)(=O)C3=CC(=C(C=C3)N=[N+]=[N-])I)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 132971-62-1
CAS Name: (2E,8E,10E,12E,14Z)-14-(5-oxo-2-furanylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
OPENEYE Name: (2E,8E,10E,12E,14Z)-14-(5-oxo-2-furylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
IUPAC Name: (2E,8E,10E,12E,14Z)-14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
SYSTEMATIC NAME: (2E,8E,10E,12E,14Z)-14-(5-oxidanylidenefuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
MOLECULAR FORMULA: C18H12O4
MOLECULAR WEIGHT: 292.28548
SMILES: C\1=CC(=O)O/C1=C\C=C\C=C\C=C\C#CC#C/C=C/C(=O)O
Structure:
CAS RN: 132971-61-0
CAS Name: (5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]-2-furanone
OPENEYE Name: (5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
IUPAC Name: (5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
SYSTEMATIC NAME: (5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C/C=C/C#CC#C/C=C/C=C/C=C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 132971-60-9
CAS Name: (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]-2-furanone
OPENEYE Name: (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
IUPAC Name: (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
SYSTEMATIC NAME: (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: CCCC#CC#C/C=C/C=C/C=C/C=C\1/C=CC(=O)O1
Structure:
CAS RN: 132905-43-2
CAS Name: (4Z,8Z,12Z,16Z)-19-(3,3-dimethyl-2-oxiranyl)-N,N,4,8,13,17-hexamethyl-1-nonadeca-4,8,12,16-tetraenamine oxide
OPENEYE Name: (4Z,8Z,12Z,16Z)-19-(3,3-dimethyloxiran-2-yl)-N,N,4,8,13,17-hexamethyl-nonadeca-4,8,12,16-tetraen-1-amine oxide
IUPAC Name: (4Z,8Z,12Z,16Z)-19-(3,3-dimethyloxiran-2-yl)-N,N,4,8,13,17-hexamethylnonadeca-4,8,12,16-tetraen-1-amine oxide
SYSTEMATIC NAME: (4Z,8Z,12Z,16Z)-19-(3,3-dimethyloxiran-2-yl)-N,N,4,8,13,17-hexamethyl-nonadeca-4,8,12,16-tetraen-1-amine oxide
MOLECULAR FORMULA: C29H51NO2
MOLECULAR WEIGHT: 445.72074
SMILES: C/C(=C/CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCC1C(O1)(C)C)/C)/CCC[N+](C)(C)[O-]
Structure:
CAS RN: 132880-09-2
CAS Name: (3E)-3-(2-oxopropylidene)-2-azetidinone
OPENEYE Name: (3E)-3-acetonylideneazetidin-2-one
IUPAC Name: (3E)-3-(2-oxopropylidene)azetidin-2-one
SYSTEMATIC NAME: (3E)-3-(2-oxidanylidenepropylidene)azetidin-2-one
MOLECULAR FORMULA: C6H7NO2
MOLECULAR WEIGHT: 125.12528
SMILES: CC(=O)/C=C/1\CNC1=O
Structure:
CAS RN: 132734-43-1
CAS Name: (E)-N-hydroxy-N-methyl-3-[2-(methylthio)phenyl]-2-propenamide
OPENEYE Name: (E)-N-hydroxy-N-methyl-3-(2-methylsulfanylphenyl)prop-2-enamide
IUPAC Name: (E)-N-hydroxy-N-methyl-3-(2-methylsulfanylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-(2-methylsulfanylphenyl)-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C11H13NO2S
MOLECULAR WEIGHT: 223.29142
SMILES: CN(C(=O)/C=C/C1=CC=CC=C1SC)O
Structure:
CAS RN: 132605-69-7
CAS Name: 4-(hydroxymethyl)-3-[(E)-3-(3-methyl-2-oxiranyl)-1-oxoprop-2-enyl]-2-oxolanone
OPENEYE Name: 4-(hydroxymethyl)-3-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoyl]tetrahydrofuran-2-one
IUPAC Name: 4-(hydroxymethyl)-3-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoyl]oxolan-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-3-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoyl]oxolan-2-one
MOLECULAR FORMULA: C11H14O5
MOLECULAR WEIGHT: 226.22586
SMILES: CC1C(O1)/C=C/C(=O)C2C(COC2=O)CO
Structure:
CAS RN: 132587-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O13
MOLECULAR WEIGHT: 568.56694
SMILES: C/C(=C\C(=O)OC1C2[C@]3([C@@H]([C@H](C4C2(CO3)C(CC(C4CC(=O)OC)C(=O)C)OC1=O)O)O)C(=O)OC)/C(C)(C)O
Structure:
CAS RN: 132587-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O14
MOLECULAR WEIGHT: 610.60362
SMILES: C/C(=C\C(=O)O[C@H]1[C@@H]2[C@]3([C@@H]([C@H]([C@H]4C2(CO3)[C@H](C[C@@H]([C@H]4CC(=O)OC)C(=O)C)OC1=O)O)O)C(=O)OC)/C(C)(C)OC(=O)C
Structure:
CAS RN: 132565-33-4
CAS Name: N-[(E,2S,3S,5R)-5-[[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(E,1S,2S,4R)-4-[[1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-butyl]carbamoyl]-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl]carbamate
IUPAC Name: tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-3-oxidanyl-1,8-diphenyl-oct-7-en-2-yl]carbamate
MOLECULAR FORMULA: C40H51N5O5
MOLECULAR WEIGHT: 681.86344
SMILES: CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](C/C=C/C3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
Structure:
CAS RN: 132505-04-5
CAS Name: sulfuric acid [(2Z,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-17-yl] ester
OPENEYE Name: [(2Z,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-17-yl] hydrogen sulfate
IUPAC Name: [(2Z,11S)-15-hydroxy-11-methyl-7,13-dioxo-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-17-yl] hydrogen sulfate
SYSTEMATIC NAME: [(2Z,11S)-11-methyl-15-oxidanyl-7,13-bis(oxidanylidene)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-17-yl] hydrogen sulfate
MOLECULAR FORMULA: C18H22O8S
MOLECULAR WEIGHT: 398.42748
SMILES: C[C@H]1CCCC(=O)CCC/C=C\C2=CC(=CC(=C2C(=O)O1)O)OS(=O)(=O)O
Structure:
CAS RN: 132461-41-7
CAS Name: (Z)-6-[(1R,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-(1-piperidinyl)cyclopentyl]-4-hexenoic acid
OPENEYE Name: (Z)-6-[(1R,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-(1-piperidyl)cyclopentyl]hex-4-enoic acid
IUPAC Name: (Z)-6-[(1R,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]hex-4-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1R,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-yl-cyclopentyl]hex-4-enoic acid
MOLECULAR FORMULA: C29H37NO3
MOLECULAR WEIGHT: 447.60898
SMILES: C1CCN(CC1)[C@@H]2CC[C@H]([C@@H]2C/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 132392-65-5
CAS Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(methylamino)-4-thiazolidinone
OPENEYE Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-(methylamino)thiazolidin-4-one
IUPAC Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(methylamino)-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-(methylamino)-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H28N2O2S
MOLECULAR WEIGHT: 348.50282
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CS2)NC
Structure:
CAS RN: 132392-39-3
CAS Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-4-thiazolidinone
OPENEYE Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-(dimethylamino)thiazolidin-4-one
IUPAC Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C20H30N2O2S
MOLECULAR WEIGHT: 362.5294
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CS2)N(C)C
Structure:
CAS RN: 132173-07-0
CAS Name: N-[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine hydrochloride
OPENEYE Name: N-[(Z)-3-(3-chloro-4-cyclohexyl-phenyl)allyl]-N-ethyl-cyclohexanamine hydrochloride
IUPAC Name: N-[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]-N-ethylcyclohexanamine hydrochloride
SYSTEMATIC NAME: N-[(Z)-3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-enyl]-N-ethyl-cyclohexanamine hydrochloride
MOLECULAR FORMULA: C23H35Cl2N
MOLECULAR WEIGHT: 396.4367
SMILES: CCN(C/C=C\C1=CC(=C(C=C1)C2CCCCC2)Cl)C3CCCCC3.Cl
Structure:
CAS RN: 132172-14-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H67NO12
MOLECULAR WEIGHT: 789.99158
SMILES: CC1CC(C(C2CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(\C1)/C)CC=C)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)O)OC
Structure:
CAS RN: 132150-13-1
CAS Name: 2-[(2Z,5Z,7Z,9R,10R,11Z)-13-hydroxy-3,7,9,11-tetramethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
OPENEYE Name: 2-[(2Z,5Z,7Z,9R,10R,11Z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
IUPAC Name: 2-[(2Z,5Z,7Z,9R,10R,11Z)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
SYSTEMATIC NAME: 2-[(2Z,5Z,7Z,9R,10R,11Z)-10-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,7,9,11-tetramethyl-13-oxidanyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one
MOLECULAR FORMULA: C31H47NO10
MOLECULAR WEIGHT: 593.70558
SMILES: CC1=C(NC(=C(C1=O)OC)OC)C/C=C(/C)\C/C=C\C(=C/[C@@H](C)[C@H](/C(=C\CO)/C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)\C
Structure:
CAS RN: 132074-82-9
CAS Name: (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(Z)-3-hydroxyprop-1-enyl]-2-furanone
OPENEYE Name: (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(Z)-3-hydroxyprop-1-enyl]furan-2-one
IUPAC Name: (5E)-5-[(E)-4-hydroxybut-2-enylidene]-3-[(Z)-3-hydroxyprop-1-enyl]furan-2-one
SYSTEMATIC NAME: (5E)-5-[(E)-4-oxidanylbut-2-enylidene]-3-[(Z)-3-oxidanylprop-1-enyl]furan-2-one
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C\1=C(C(=O)O/C1=C/C=C/CO)/C=C\CO
Structure:
CAS RN: 132056-04-3
CAS Name: (2E,3E,5Z)-6-[3-[[(2S)-3,3-dimethyl-2-oxiranyl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3E,5Z)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3E,5Z)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3E,5Z)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC(=CCOC1=C(C=C(C=C1)/C=C\C=C(/C)\C(=C/OC)\C(=O)OC)OC[C@H]2C(O2)(C)C)C
Structure:
CAS RN: 132055-38-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H67NO12
MOLECULAR WEIGHT: 777.98088
SMILES: CCC1/C=C(\CC(CC(C(C2CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)O)OC)C)/C
Structure:
CAS RN: 132014-43-8
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methyl-hexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1R)-1-(5-methyl-5-oxidanyl-hexoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H46O4
MOLECULAR WEIGHT: 446.66244
SMILES: C[C@H](C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)OCCCCC(C)(C)O
Structure:
CAS RN: 131916-69-3
CAS Name: (E)-2-butenedioic acid; 4-pentoxy-2-(4-prop-2-enyl-1-piperazinyl)quinazoline
OPENEYE Name: 2-(4-allylpiperazin-1-yl)-4-pentoxy-quinazoline; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-pentoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
MOLECULAR FORMULA: C24H32N4O5
MOLECULAR WEIGHT: 456.53468
SMILES: CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 131888-54-5
CAS Name: (E)-2-butenedioic acid; [4-(3-methyl-3-phenylbutyl)-1-piperazinyl]-[2-(3-pyridinyl)-4-thiazolidinyl]methanone
OPENEYE Name: fumaric acid; [4-(3-methyl-3-phenyl-butyl)piperazin-1-yl]-[2-(3-pyridyl)thiazolidin-4-yl]methanone
IUPAC Name: (E)-but-2-enedioic acid; [4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [4-(3-methyl-3-phenyl-butyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
MOLECULAR FORMULA: C28H36N4O5S
MOLECULAR WEIGHT: 540.67424
SMILES: CC(C)(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 131817-86-2
CAS Name: (E)-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-N-hydroxy-N-methyl-2-propenamide
OPENEYE Name: (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methyl-prop-2-enamide
IUPAC Name: (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-methyl-N-oxidanyl-prop-2-enamide
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)/C=C/C(=O)N(C)O)C
Structure:
CAS RN: 131623-14-8
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yloxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[1-methyl-1-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]ethoxy]tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[2-[(2R)-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yloxy]oxan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C30H32O12
MOLECULAR WEIGHT: 584.56788
SMILES: CC(C)([C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)OC)O)O)O
Structure:
CAS RN: 131622-62-3
CAS Name: (2R,3R,4R,5R,6S)-2-[[2-[(2E,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridinyl]oxy]-6-methyloxane-3,4,5-triol
OPENEYE Name: (2R,3R,4R,5R,6S)-2-[[2-[(2E,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridyl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4R,5R,6S)-2-[2-[(2E,5Z,7Z,9R,10R,11Z)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4R,5R,6S)-2-[2,3-dimethoxy-5-methyl-6-[(2E,5Z,7Z,9R,10R,11Z)-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]pyridin-4-yl]oxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C31H47NO8
MOLECULAR WEIGHT: 561.70678
SMILES: C/C=C(/C)\[C@@H]([C@H](C)/C=C(/C)\C=C/C/C(=C/CC1=NC(=C(C(=C1C)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)OC)OC)/C)O
Structure:
CAS RN: 131479-28-2
CAS Name: [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1-oxododecoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoyloxy]-3-[(Z)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H76N5O11P
MOLECULAR WEIGHT: 882.074901
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]
Structure:
CAS RN: 131449-37-1
CAS Name: (3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-1-oxohexyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-azanyl-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C45H55N7O10
MOLECULAR WEIGHT: 853.9591
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=CC=C3)NC)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/C4=CC=C(C=C4)O)N
Structure:
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