CAS RN: 220322-05-4
CAS Name: (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methyl-1-piperazinyl)phenyl]methylidene]-3-thiomorpholinone hydrochloride
OPENEYE Name: (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylene]thiomorpholin-3-one hydrochloride
IUPAC Name: (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one hydrochloride
SYSTEMATIC NAME: (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one hydrochloride
MOLECULAR FORMULA: C22H24Cl3N3OS
MOLECULAR WEIGHT: 484.86946
SMILES: CN1CCN(CC1)C2=CC=CC=C2/C=C/3\C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.Cl
Structure:
CAS RN: 77308-44-2
CAS Name: (2Z,6E)-5-(2-oxanyloxy)-1-dodeca-2,6-dienol
OPENEYE Name: (2Z,6E)-5-tetrahydropyran-2-yloxydodeca-2,6-dien-1-ol
IUPAC Name: (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol
SYSTEMATIC NAME: (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol
MOLECULAR FORMULA: C17H30O3
MOLECULAR WEIGHT: 282.4183
SMILES: CCCCC/C=C/C(C/C=C\CO)OC1CCCCO1
Structure:
CAS RN: 77165-72-1
CAS Name: 4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[(E)-4-hydroxy-3-methyl-but-2-enyl]-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-4-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-2-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: C/C(=C\CC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3)/CO
Structure:
CAS RN: 76823-82-0
CAS Name: 2-(3-benzoylphenyl)propanoic acid 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]ethyl ester; (E)-2-butenedioic acid
OPENEYE Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propanoate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propanoate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethyl 2-[3-(phenylcarbonyl)phenyl]propanoate
MOLECULAR FORMULA: C45H47ClN2O12
MOLECULAR WEIGHT: 843.31388
SMILES: CC(C(=O)OCCOCCN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC(=C4)C(=O)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76799-82-1
CAS Name: (2Z,4Z)-2-chlorohexa-2,4-dienedioic acid
OPENEYE Name: (2Z,4Z)-2-chlorohexa-2,4-dienedioic acid
IUPAC Name: (2Z,4Z)-2-chlorohexa-2,4-dienedioic acid
SYSTEMATIC NAME: (2Z,4Z)-2-chloranylhexa-2,4-dienedioic acid
MOLECULAR FORMULA: C6H5ClO4
MOLECULAR WEIGHT: 176.5545
SMILES: C(=C\C(=O)O)\C=C(\C(=O)O)/Cl
Structure:
CAS RN: 76733-75-0
CAS Name: 1-[(E)-2-chloro-1-(2-methoxyphenyl)ethenyl]-4-methoxybenzene
OPENEYE Name: 1-[(E)-2-chloro-1-(2-methoxyphenyl)vinyl]-4-methoxy-benzene
IUPAC Name: 1-[(E)-2-chloro-1-(2-methoxyphenyl)ethenyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[(E)-2-chloranyl-1-(2-methoxyphenyl)ethenyl]-4-methoxy-benzene
MOLECULAR FORMULA: C16H15ClO2
MOLECULAR WEIGHT: 274.7421
SMILES: COC1=CC=C(C=C1)/C(=C\Cl)/C2=CC=CC=C2OC
Structure:
CAS RN: 76713-90-1
CAS Name: (Z)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
OPENEYE Name: (Z)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
IUPAC Name: (Z)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
SYSTEMATIC NAME: (Z)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
MOLECULAR FORMULA: C15H18ClN3O
MOLECULAR WEIGHT: 291.77592
SMILES: CC(C)(C)C(/C(=C/C1=CC=C(C=C1)Cl)/N2C=NC=N2)O
Structure:
CAS RN: 78987-26-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H52ClN3O11
MOLECULAR WEIGHT: 750.27528
SMILES: CC1C2CC(C(/C=C/C=C(/C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)CC(C)N(C)C(=O)C(C)C)C)O)\C)OC)(NC(=O)O2)O
Structure:
CAS RN: 78478-28-1
CAS Name: (Z)-2-methyl-2-butenoic acid [(9S,10S)-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-9,10-dihydropyrano[2,3-f][1]benzopyran-9-yl] ester
OPENEYE Name: [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxidanylidene-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C24H28O7
MOLECULAR WEIGHT: 428.47492
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C
Structure:
CAS RN: 78111-14-5
CAS Name: (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-7-hyd
OPENEYE Name: methyl (2R)-3-[(4S,6R,7R,10S)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-m
IUPAC Name: methyl (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-
SYSTEMATIC NAME: methyl (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-e
MOLECULAR FORMULA: C45H70O13
MOLECULAR WEIGHT: 819.0295
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)OC)O)O)C)O)O
Structure:
CAS RN: 77855-81-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H48O7
MOLECULAR WEIGHT: 556.73002
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
Structure:
CAS RN: 77739-71-0
CAS Name: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-5
OPENEYE Name: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-meth
IUPAC Name: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]
SYSTEMATIC NAME: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2
MOLECULAR FORMULA: C44H68O13S
MOLECULAR WEIGHT: 837.06792
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)CC([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6C[C@@]7([C@@H](S7)[C@@]8(O6)[C@@H](CC[C@H](O8)C[C@](C)(C(=O)O)O)O)C)O)O
Structure:
CAS RN: 71101-05-8
CAS Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
IUPAC Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
SYSTEMATIC NAME: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
MOLECULAR FORMULA: C20H19F3O4
MOLECULAR WEIGHT: 380.35767
SMILES: CCOC(=O)/C=C/C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 73468-58-3
CAS Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
IUPAC Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
SYSTEMATIC NAME: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
MOLECULAR FORMULA: C20H19F3O4
MOLECULAR WEIGHT: 380.35767
SMILES: CCOC(=O)/C=C/C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 78818-87-8
CAS Name: (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
IUPAC Name: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
SYSTEMATIC NAME: ethyl (E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pent-2-enoate
MOLECULAR FORMULA: C20H19F3O4
MOLECULAR WEIGHT: 380.35767
SMILES: CCOC(=O)/C=C/C(C)OC1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 77165-77-6
CAS Name: (E)-3-(4-hydroxy-3-methyl-11-oxo-8-pyrrolo[2,1-c][1,4]benzodiazepinyl)-2-propenamide
OPENEYE Name: (E)-3-(4-hydroxy-3-methyl-11-oxo-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
IUPAC Name: (E)-3-(4-hydroxy-3-methyl-11-oxopyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-methyl-4-oxidanyl-11-oxidanylidene-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(C=C3C=N2)/C=C/C(=O)N)O
Structure:
CAS RN: 77162-65-3
CAS Name: 8-hydroxy-8-[(E)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
OPENEYE Name: 8-hydroxy-8-[(E)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
IUPAC Name: 8-hydroxy-8-[(E)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
SYSTEMATIC NAME: 1,5-dimethyl-8-oxidanyl-8-[(E)-3-oxidanylbut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one
MOLECULAR FORMULA: C13H20O4
MOLECULAR WEIGHT: 240.2955
SMILES: CC(/C=C/C1(C2(CC(=O)CC1(OC2)C)C)O)O
Structure:
CAS RN: 76739-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32O7
MOLECULAR WEIGHT: 420.49598
SMILES: CC1=C[C@@H]2[C@@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\C([C@H](C)O)O)C)CO
Structure:
CAS RN: 76663-52-0
CAS Name: N-[6-hydroxy-1-[[3-hydroxy-4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]
OPENEYE Name: N-[1-[[1-[[2-[[1-[[1-[[2-[[1,1-dimethyl-2-[[3-[[1-methyl-2-(methylamino)ethyl]amino]-3-oxo-propyl]amino]-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-3
IUPAC Name: N-[6-hydroxy-1-[[3-hydroxy-4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]
SYSTEMATIC NAME: 4-methyl-1-[(E)-4-methylhex-2-enoyl]-N-[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-
MOLECULAR FORMULA: C61H109N11O13
MOLECULAR WEIGHT: 1204.58406
SMILES: CCC(C)/C=C/C(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CNC)C
Structure:
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