CAS RN: 80626-07-9
CAS Name: (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)methylamino]but-2-enoate
IUPAC Name: ethyl (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)methylamino]but-2-enoate
MOLECULAR FORMULA: C17H24ClNO3
MOLECULAR WEIGHT: 325.83036
SMILES: CCOC(=O)/C=C(/C)\NCC1=C(C(=CC(=C1)C(C)(C)C)Cl)O
Structure:
CAS RN: 79861-91-9
CAS Name: (Z)-4-(4-chlorophenoxy)-4-oxo-2-butenoic acid; N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol; hydrochloride
OPENEYE Name: (Z)-4-(4-chlorophenoxy)-4-oxo-but-2-enoic acid; N,N-dimethyl-3-(2-pyridyl)propan-1-amine; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; hydrochloride
IUPAC Name: (Z)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; hydrochloride
SYSTEMATIC NAME: (Z)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; hydrochloride
MOLECULAR FORMULA: C30H39Cl2N3O5
MOLECULAR WEIGHT: 592.55376
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.CN(C)CCCC1=CC=CC=N1.C1=CC(=CC=C1OC(=O)/C=C\C(=O)O)Cl.Cl
Structure:
CAS RN: 79811-16-8
CAS Name: 4-[4-[(1E,3E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)penta-1,3-dienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
OPENEYE Name: 4-[4-[(1E,3E)-5-(1,3-dibutyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)penta-1,3-dienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
IUPAC Name: 4-[4-[(1E,3E)-5-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)penta-1,3-dienyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[4-[(1E,3E)-5-[1,3-dibutyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]penta-1,3-dienyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C27H32N4O7S
MOLECULAR WEIGHT: 556.63058
SMILES: CCCCN1C(=O)C(=C/C=C/C=C/C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C(=O)N(C1=O)CCCC
Structure:
CAS RN: 79743-27-4
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-methoxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-5-methoxy-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OC)O)O
Structure:
CAS RN: 79743-26-3
CAS Name: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methoxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methoxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methoxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3-methoxy-5-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)OC)O
Structure:
CAS RN: 79741-28-9
CAS Name: (E)-11-oxo-11-[(2S,3R)-3-pentyl-2-oxiranyl]-9-undecenoic acid
OPENEYE Name: (E)-11-oxo-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
IUPAC Name: (E)-11-oxo-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
SYSTEMATIC NAME: (E)-11-oxidanylidene-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
MOLECULAR FORMULA: C18H30O4
MOLECULAR WEIGHT: 310.4284
SMILES: CCCCC[C@@H]1[C@H](O1)C(=O)/C=C/CCCCCCCC(=O)O
Structure:
CAS RN: 79695-14-0
CAS Name: (5S,6R,7E,9E,11Z,14Z,17Z)-6-[(2-amino-2-carboxyethyl)thio]-5-hydroxyeicosa-7,9,11,14,17-pentaenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-amino-2-carboxy-ethyl)sulfanyl-5-hydroxy-icosa-7,9,11,14,17-pentaenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-amino-2-carboxyethyl)sulfanyl-5-hydroxyicosa-7,9,11,14,17-pentaenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z,17Z)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-5-oxidanyl-icosa-7,9,11,14,17-pentaenoic acid
MOLECULAR FORMULA: C23H35NO5S
MOLECULAR WEIGHT: 437.5927
SMILES: CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)O)N
Structure:
CAS RN: 79672-87-0
CAS Name: 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoic acid methyl ester
OPENEYE Name: methyl 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoate
IUPAC Name: methyl 5-[(4R,5R)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoate
SYSTEMATIC NAME: methyl 5-[(4R,5R)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]pentanoate
MOLECULAR FORMULA: C27H37NO4
MOLECULAR WEIGHT: 439.58698
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC2=C1C=C(N2C3=CC=CC=C3)CCCCC(=O)OC)O)O
Structure:
CAS RN: 79595-81-6
CAS Name: (5E,8E,12E)-11,14,15-trihydroxyeicosa-5,8,12-trienoic acid
OPENEYE Name: (5E,8E,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
IUPAC Name: (5E,8E,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid
SYSTEMATIC NAME: (5E,8E,12E)-11,14,15-tris(oxidanyl)icosa-5,8,12-trienoic acid
MOLECULAR FORMULA: C20H34O5
MOLECULAR WEIGHT: 354.48096
SMILES: CCCCCC(C(/C=C/C(C/C=C/C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 79595-80-5
CAS Name: (5E,8E,11E)-13-hydroxy-13-(3-pentyl-2-oxiranyl)trideca-5,8,11-trienoic acid
OPENEYE Name: (5E,8E,11E)-13-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
IUPAC Name: (5E,8E,11E)-13-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
SYSTEMATIC NAME: (5E,8E,11E)-13-oxidanyl-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCCC1C(O1)C(/C=C/C/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 79577-58-5
CAS Name: (2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-1-eicosa-2,6,10,14,18-pentaenol
OPENEYE Name: (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
IUPAC Name: (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
SYSTEMATIC NAME: (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
MOLECULAR FORMULA: C25H42O
MOLECULAR WEIGHT: 358.60038
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)C
Structure:
CAS RN: 79551-85-2
CAS Name: (5E,8E,11E,14E)-19-hydroxyeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-19-hydroxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-19-hydroxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-19-oxidanylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 79551-82-9
CAS Name: (5E,8E,14E)-11,12-dihydroxyeicosa-5,8,14-trienoic acid
OPENEYE Name: (5E,8E,14E)-11,12-dihydroxyicosa-5,8,14-trienoic acid
IUPAC Name: (5E,8E,14E)-11,12-dihydroxyicosa-5,8,14-trienoic acid
SYSTEMATIC NAME: (5E,8E,14E)-11,12-bis(oxidanyl)icosa-5,8,14-trienoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCC/C=C/CC(C(C/C=C/C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 79551-81-8
CAS Name: (5E,8E,11E)-14,15-dihydroxyeicosa-5,8,11-trienoic acid
OPENEYE Name: (5E,8E,11E)-14,15-dihydroxyicosa-5,8,11-trienoic acid
IUPAC Name: (5E,8E,11E)-14,15-dihydroxyicosa-5,8,11-trienoic acid
SYSTEMATIC NAME: (5E,8E,11E)-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCCC(C(C/C=C/C/C=C/C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 79415-97-7
CAS Name: (E)-12-[(E)-17-carboxyheptadec-9-en-7-yl]oxy-9-octadecenoic acid
OPENEYE Name: (E)-12-[(E)-11-carboxy-1-hexyl-undec-3-enoxy]octadec-9-enoic acid
IUPAC Name: (E)-12-[(E)-17-carboxyheptadec-9-en-7-yl]oxyoctadec-9-enoic acid
SYSTEMATIC NAME: (E)-12-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-en-7-yl]oxyoctadec-9-enoic acid
MOLECULAR FORMULA: C36H66O5
MOLECULAR WEIGHT: 578.90624
SMILES: CCCCCCC(OC(C/C=C/CCCCCCCC(=O)O)CCCCCC)C/C=C/CCCCCCCC(=O)O
Structure:
CAS RN: 79378-27-1
CAS Name: (2R,3R,4R)-4-hydroxy-2-[(E)-8-hydroxy-7-oxooct-2-enyl]-3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-1-cyclopentanone
OPENEYE Name: (2R,3R,4R)-4-hydroxy-2-[(E)-8-hydroxy-7-oxo-oct-2-enyl]-3-[(E)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentanone
IUPAC Name: (2R,3R,4R)-4-hydroxy-2-[(E)-8-hydroxy-7-oxooct-2-enyl]-3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentan-1-one
SYSTEMATIC NAME: (2R,3R,4R)-4-oxidanyl-2-[(E)-8-oxidanyl-7-oxidanylidene-oct-2-enyl]-3-[(E)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentan-1-one
MOLECULAR FORMULA: C23H30O6
MOLECULAR WEIGHT: 402.4807
SMILES: C1[C@H]([C@@H]([C@H](C1=O)C/C=C/CCCC(=O)CO)/C=C/C(COC2=CC=CC=C2)O)O
Structure:
CAS RN: 79338-84-4
CAS Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
OPENEYE Name: 2-isopropyl-5-[(E)-styryl]benzene-1,3-diol
IUPAC Name: 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
SYSTEMATIC NAME: 5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: CC(C)C1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
Structure:
CAS RN: 79338-80-0
CAS Name: 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
OPENEYE Name: 2-ethyl-5-[(E)-styryl]benzene-1,3-diol
IUPAC Name: 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
SYSTEMATIC NAME: 2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: CCC1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
Structure:
CAS RN: 79270-63-6
CAS Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-2-enylidene]acetaldehyde
OPENEYE Name: (2E)-2-[(4E)-4-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-2-en-1-ylidene]acetaldehyde
IUPAC Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-2-en-1-ylidene]acetaldehyde
SYSTEMATIC NAME: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-2-en-1-ylidene]ethanal
MOLECULAR FORMULA: C22H30O
MOLECULAR WEIGHT: 310.473
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CCC/C(=C\C=O)/C=C2)/C
Structure:
CAS RN: 79189-81-4
CAS Name: (Z)-2-methyl-2-butenoic acid [2,2-dimethyl-7-(methylcarbamoyloxy)-3H-benzofuran-3-yl] ester
OPENEYE Name: [2,2-dimethyl-7-(methylcarbamoyloxy)-3H-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: C/C=C(/C)\C(=O)OC1C2=C(C(=CC=C2)OC(=O)NC)OC1(C)C
Structure:
CAS RN: 79114-73-1
CAS Name: (1E,3Z)-1-diazonio-4-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolyl)-2-buta-1,3-dienolate
OPENEYE Name: (1E,3Z)-1-diazonio-4-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)buta-1,3-dien-2-olate
IUPAC Name: (1E,3Z)-1-diazonio-4-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)buta-1,3-dien-2-olate
SYSTEMATIC NAME: (1E,3Z)-1-diazonio-4-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)buta-1,3-dien-2-olate
MOLECULAR FORMULA: C12H16N3O2
MOLECULAR WEIGHT: 234.27434
SMILES: CC1(C=C(C(N1[O])(C)C)/C=C\C(=C/[N+]#N)\[O-])C
Structure:
CAS RN: 79072-90-5
CAS Name: (5E,8E,14E)-eicosa-5,8,14-trienoic acid
OPENEYE Name: (5E,8E,14E)-icosa-5,8,14-trienoic acid
IUPAC Name: (5E,8E,14E)-icosa-5,8,14-trienoic acid
SYSTEMATIC NAME: (5E,8E,14E)-icosa-5,8,14-trienoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CCCCC/C=C/CCCC/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 78864-51-4
CAS Name: (E)-6-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-4-imidazolidinyl]-4-hexenoic acid
OPENEYE Name: (E)-6-[3-(3-cyclohexyl-3-hydroxy-propyl)-2,5-dioxo-imidazolidin-4-yl]hex-4-enoic acid
IUPAC Name: (E)-6-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]hex-4-enoic acid
SYSTEMATIC NAME: (E)-6-[3-(3-cyclohexyl-3-oxidanyl-propyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]hex-4-enoic acid
MOLECULAR FORMULA: C18H28N2O5
MOLECULAR WEIGHT: 352.42532
SMILES: C1CCC(CC1)C(CCN2C(C(=O)NC2=O)C/C=C/CCC(=O)O)O
Structure:
CAS RN: 78859-47-9
CAS Name: 3-aminopropyl-[(5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoxy]phosphinic acid
OPENEYE Name: 3-aminopropyl-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoxy]phosphinic acid
IUPAC Name: 3-aminopropyl-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoxy]phosphinic acid
SYSTEMATIC NAME: 3-azanylpropyl-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoxy]phosphinic acid
MOLECULAR FORMULA: C23H42NO3P
MOLECULAR WEIGHT: 411.558241
SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOP(=O)(CCCN)O
Structure:
CAS RN: 78832-65-2
CAS Name: (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C23H32N4O7
MOLECULAR WEIGHT: 476.52278
SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 181268-76-8
CAS Name: (Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]-2-butenoic acid
OPENEYE Name: (Z)-3-[3-benzyloxy-5-[2-[methyl(2-phenylethyl)amino]-2-oxo-ethyl]phenyl]but-2-enoic acid
IUPAC Name: (Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyphenyl]but-2-enoic acid
SYSTEMATIC NAME: (Z)-3-[3-[2-[methyl(2-phenylethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-phenyl]but-2-enoic acid
MOLECULAR FORMULA: C28H29NO4
MOLECULAR WEIGHT: 443.53416
SMILES: C/C(=C/C(=O)O)/C1=CC(=CC(=C1)OCC2=CC=CC=C2)CC(=O)N(C)CCC3=CC=CC=C3
Structure:
CAS RN: 176181-81-0
CAS Name: N-(2-aminoethyl)-2,4,5-trichloro-N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]benzenesulfonamide
OPENEYE Name: N-(2-aminoethyl)-2,4,5-trichloro-N-[2-[[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]methyl]phenyl]benzenesulfonamide
IUPAC Name: N-(2-aminoethyl)-2,4,5-trichloro-N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]benzenesulfonamide
SYSTEMATIC NAME: N-(2-azanylethyl)-2,4,5-tris(chloranyl)-N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]methyl]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C25H25Cl4N3O2S
MOLECULAR WEIGHT: 573.3619
SMILES: CN(C/C=C/C1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCN)S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl
Structure:
CAS RN: 174849-68-4
CAS Name: (3Z,6E)-3-[[4-[2-(dimethylamino)ethylthio]phenyl]methylidene]-6-(phenylmethylene)piperazine-2,5-dione
OPENEYE Name: (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethylsulfanyl]phenyl]methylene]piperazine-2,5-dione
IUPAC Name: (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethylsulfanyl]phenyl]methylidene]piperazine-2,5-dione
SYSTEMATIC NAME: (3Z,6E)-3-[[4-[2-(dimethylamino)ethylsulfanyl]phenyl]methylidene]-6-(phenylmethylidene)piperazine-2,5-dione
MOLECULAR FORMULA: C22H23N3O2S
MOLECULAR WEIGHT: 393.50192
SMILES: CN(C)CCSC1=CC=C(C=C1)/C=C\2/C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2
Structure:
CAS RN: 171171-42-9
CAS Name: (E)-2-butenedioic acid; 1-[3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
OPENEYE Name: fumaric acid; 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
IUPAC Name: (E)-but-2-enedioic acid; 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
MOLECULAR FORMULA: C26H34N6O7S
MOLECULAR WEIGHT: 574.64916
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=NC=NC=C4OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 167357-73-5
CAS Name: (5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (5E)-5-[(2E)-2-[1-[2-[3-(1-hydroxy-1-methyl-ethyl)phenoxy]-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (5E)-5-[(2E)-2-[7a-methyl-1-[1-[3-(2-oxidanylpropan-2-yl)phenoxy]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C31H44O4
MOLECULAR WEIGHT: 480.67866
SMILES: CC(COC1=CC=CC(=C1)C(C)(C)O)C2CCC\3C2(CCC/C3=C\C=C\4/CC(CC(C4=C)O)O)C
Structure:
CAS RN: 161882-27-5
CAS Name: (5E,8E,11E,14E)-20-fluoranyleicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-20-fluoranylicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-20-fluoranylicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-20-fluoranylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H31FO2
MOLECULAR WEIGHT: 321.459878
SMILES: C(CC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)CC[18F]
Structure:
CAS RN: 158944-02-6
CAS Name: (3Z,6E)-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-6-(phenylmethylene)piperazine-2,5-dione
OPENEYE Name: (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylene]piperazine-2,5-dione
IUPAC Name: (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
SYSTEMATIC NAME: (3Z,6E)-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-6-(phenylmethylidene)piperazine-2,5-dione
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CN(C)CCOC1=CC=C(C=C1)/C=C\2/C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2
Structure:
CAS RN: 158507-68-7
CAS Name: (3E,14Z)-2-amino-1-octadeca-3,14-dienol
OPENEYE Name: (3E,14Z)-2-aminooctadeca-3,14-dien-1-ol
IUPAC Name: (3E,14Z)-2-aminooctadeca-3,14-dien-1-ol
SYSTEMATIC NAME: (3E,14Z)-2-azanyloctadeca-3,14-dien-1-ol
MOLECULAR FORMULA: C18H35NO
MOLECULAR WEIGHT: 281.4766
SMILES: CCC/C=C\CCCCCCCCC/C=C/C(CO)N
Structure:
CAS RN: 157183-67-0
CAS Name: (E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid
OPENEYE Name: (E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-icos-6-enoic acid
IUPAC Name: (E,2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
SYSTEMATIC NAME: (E,2S,3S)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoic acid
MOLECULAR FORMULA: C21H39NO5
MOLECULAR WEIGHT: 385.53806
SMILES: CCCCCCC(=O)CCCCCC/C=C/CC[C@@H]([C@@](CO)(C(=O)O)N)O
Structure:
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