CAS RN: 6902-18-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N4O2+2
MOLECULAR WEIGHT: 616.83472
SMILES: C/C=C/1\C2C34C5(C(N6C3C7(C8=CC=CC=C68)C(C2)[N+](C1)(CC7)C)O)C9N(C4O)C1=CC=CC=C1C91C2[N+](C/C(=C/C)/C5C2)(CC1)C
Structure:
CAS RN: 6849-00-9
CAS Name: propanoic acid [4-phenyl-1-[(E)-3-phenylprop-2-enyl]-4-piperidinyl] ester hydrochloride
OPENEYE Name: [1-[(E)-cinnamyl]-4-phenyl-4-piperidyl] propanoate hydrochloride
IUPAC Name: [4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl] propanoate hydrochloride
SYSTEMATIC NAME: [4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl] propanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO2
MOLECULAR WEIGHT: 385.92692
SMILES: CCC(=O)OC1(CCN(CC1)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 6844-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N4O4+2
MOLECULAR WEIGHT: 648.83352
SMILES: C[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2
Structure:
CAS RN: 69356-54-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N4O4+2
MOLECULAR WEIGHT: 648.83352
SMILES: C[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2
Structure:
CAS RN: 6725-70-8
CAS Name: (9Z,12Z)-N-(2-methylphenyl)octadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-(o-tolyl)octadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-(2-methylphenyl)octadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-(2-methylphenyl)octadeca-9,12-dienamide
MOLECULAR FORMULA: C25H39NO
MOLECULAR WEIGHT: 369.58326
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1=CC=CC=C1C
Structure:
CAS RN: 6538-82-5
CAS Name: [(E)-3-carboxyprop-2-enyl]-trimethylammonium chloride
OPENEYE Name: [(E)-3-carboxyallyl]-trimethyl-ammonium chloride
IUPAC Name: [(E)-3-carboxyprop-2-enyl]-trimethylazanium chloride
SYSTEMATIC NAME: trimethyl-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enyl]azanium chloride
MOLECULAR FORMULA: C7H14ClNO2
MOLECULAR WEIGHT: 179.64456
SMILES: C[N+](C)(C)C/C=C/C(=O)O.[Cl-]
Structure:
CAS RN: 6416-25-7
CAS Name: disodium 5-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-2-[(E)-2-[4-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(2,4-dimethoxybenzoyl)amino]-2-[(E)-2-[4-[(2,4-dimethoxybenzoyl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(2,4-dimethoxybenzoyl)amino]-2-[(E)-2-[4-[(2,4-dimethoxybenzoyl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(2,4-dimethoxyphenyl)carbonylamino]-2-[(E)-2-[4-[(2,4-dimethoxyphenyl)carbonylamino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H28N2Na2O12S2
MOLECULAR WEIGHT: 742.68046
SMILES: COC1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC(=O)C4=C(C=C(C=C4)OC)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+]
Structure:
CAS RN: 6412-76-6
CAS Name: phosphoric acid [(E)-1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl] dimethyl ester
OPENEYE Name: [(E)-1-(4-bromo-2,5-dichloro-phenyl)-2-chloro-vinyl] dimethyl phosphate
IUPAC Name: [(E)-1-(4-bromo-2,5-dichlorophenyl)-2-chloroethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-1-[4-bromanyl-2,5-bis(chloranyl)phenyl]-2-chloranyl-ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H9BrCl3O4P
MOLECULAR WEIGHT: 410.412821
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Br)Cl
Structure:
CAS RN: 6412-75-5
CAS Name: phosphoric acid [(E)-1-(2-bromo-4,5-dichlorophenyl)-2-chloroethenyl] dimethyl ester
OPENEYE Name: [(E)-1-(2-bromo-4,5-dichloro-phenyl)-2-chloro-vinyl] dimethyl phosphate
IUPAC Name: [(E)-1-(2-bromo-4,5-dichlorophenyl)-2-chloroethenyl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-1-[2-bromanyl-4,5-bis(chloranyl)phenyl]-2-chloranyl-ethenyl] dimethyl phosphate
MOLECULAR FORMULA: C10H9BrCl3O4P
MOLECULAR WEIGHT: 410.412821
SMILES: COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Br)Cl)Cl
Structure:
CAS RN: 6281-77-2
CAS Name: (E)-1-(2-furanyl)-5-(4-morpholinyl)-1-penten-3-one hydrochloride
OPENEYE Name: (E)-1-(2-furyl)-5-morpholino-pent-1-en-3-one hydrochloride
IUPAC Name: (E)-1-(furan-2-yl)-5-morpholin-4-ylpent-1-en-3-one hydrochloride
SYSTEMATIC NAME: (E)-1-(furan-2-yl)-5-morpholin-4-yl-pent-1-en-3-one hydrochloride
MOLECULAR FORMULA: C13H18ClNO3
MOLECULAR WEIGHT: 271.73992
SMILES: C1COCCN1CCC(=O)/C=C/C2=CC=CO2.Cl
Structure:
CAS RN: 6129-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H44O8
MOLECULAR WEIGHT: 628.75116
SMILES: CC(=CCCC1(C=CC2=C(C(=C3C(=C2O1)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(\C)/C(=O)O)CC=C(C)C)O)C)C
Structure:
CAS RN: 6032-82-2
CAS Name: 2-[(E)-3-(1H-imidazol-5-yl)-1-oxoprop-2-enoxy]ethyl-trimethylammonium chloride hydrochloride
OPENEYE Name: 2-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxyethyl-trimethyl-ammonium chloride hydrochloride
IUPAC Name: 2-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxyethyl-trimethylazanium chloride hydrochloride
SYSTEMATIC NAME: 2-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]oxyethyl-trimethyl-azanium chloride hydrochloride
MOLECULAR FORMULA: C11H19Cl2N3O2
MOLECULAR WEIGHT: 296.19346
SMILES: C[N+](C)(C)CCOC(=O)/C=C/C1=CN=CN1.Cl.[Cl-]
Structure:
CAS RN: 5991-40-2
CAS Name: 1-methyl-1-[2-[(E)-2-(1-naphthalenyl)hex-4-enoxy]ethyl]pyrrolidin-1-ium iodide
OPENEYE Name: 1-methyl-1-[2-[(E)-2-(1-naphthyl)hex-4-enoxy]ethyl]pyrrolidin-1-ium iodide
IUPAC Name: 1-methyl-1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]pyrrolidin-1-ium iodide
SYSTEMATIC NAME: 1-methyl-1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]pyrrolidin-1-ium iodide
MOLECULAR FORMULA: C23H32INO
MOLECULAR WEIGHT: 465.41075
SMILES: C/C=C/CC(COCC[N+]1(CCCC1)C)C2=CC=CC3=CC=CC=C32.[I-]
Structure:
CAS RN: 5962-06-1
CAS Name: (E)-N-carbamoyl-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-carbamoyl-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-carbamoyl-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-aminocarbonyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC(=O)N
Structure:
CAS RN: 5778-43-8
CAS Name: acetic acid [2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-8-quinolinyl] ester
OPENEYE Name: [2-[(E)-2-(5-nitro-2-furyl)vinyl]-8-quinolyl] acetate
IUPAC Name: [2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl] acetate
SYSTEMATIC NAME: [2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-yl] ethanoate
MOLECULAR FORMULA: C17H12N2O5
MOLECULAR WEIGHT: 324.28758
SMILES: CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 3216-14-6
CAS Name: (E)-2-butenedioic acid; 4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
OPENEYE Name: fumaric acid; 4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
IUPAC Name: (E)-but-2-enedioic acid; 4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
MOLECULAR FORMULA: C24H26F3NO6
MOLECULAR WEIGHT: 481.46155
SMILES: C1COCCN1CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 3216-12-4
CAS Name: (E)-2-butenedioic acid; 8-methyl-3-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane
OPENEYE Name: fumaric acid; 8-methyl-3-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane
IUPAC Name: (E)-but-2-enedioic acid; 8-methyl-3-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-methyl-3-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C26H28F3NO5
MOLECULAR WEIGHT: 491.49943
SMILES: CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 3156-53-4
CAS Name: 3-[(Z)-2-nitroprop-1-enyl]pyridine
OPENEYE Name: 3-[(Z)-2-nitroprop-1-enyl]pyridine
IUPAC Name: 3-[(Z)-2-nitroprop-1-enyl]pyridine
SYSTEMATIC NAME: 3-[(Z)-2-nitroprop-1-enyl]pyridine
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C/C(=C/C1=CN=CC=C1)/[N+](=O)[O-]
Structure:
CAS RN: 3140-45-2
CAS Name: (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-isopropyloctadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-propan-2-yloctadeca-9,12-dienamide
MOLECULAR FORMULA: C21H39NO
MOLECULAR WEIGHT: 321.54046
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C
Structure:
CAS RN: 2920-52-7
CAS Name: (E)-2-butenedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
OPENEYE Name: fumaric acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C24H26F3NO5
MOLECULAR WEIGHT: 465.46215
SMILES: C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 2798-72-3
CAS Name: 1-[(E)-but-1-en-3-ynoxy]butane
OPENEYE Name: 1-[(E)-but-1-en-3-ynoxy]butane
IUPAC Name: 1-[(E)-but-1-en-3-ynoxy]butane
SYSTEMATIC NAME: 1-[(E)-but-1-en-3-ynoxy]butane
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CCCCO/C=C/C#C
Structure:
CAS RN: 2726-44-5
CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-1-penten-3-one
OPENEYE Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one
IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(1,3-benzodioxol-5-yl)-4-methyl-pent-1-en-3-one
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 2673-67-8
CAS Name: phosphoric acid [(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl ester
OPENEYE Name: [(E)-3-(hydroxymethylamino)-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
IUPAC Name: [(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [(E)-4-(hydroxymethylamino)-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C7H14NO6P
MOLECULAR WEIGHT: 239.162921
SMILES: C/C(=C\C(=O)NCO)/OP(=O)(OC)OC
Structure:
CAS RN: 2597-53-7
CAS Name: N-[[(E)-2-chloroethenoxy]-ethoxyphosphoryl]-N-ethylethanamine
OPENEYE Name: N-[[(E)-2-chlorovinyloxy]-ethoxy-phosphoryl]-N-ethyl-ethanamine
IUPAC Name: N-[[(E)-2-chloroethenoxy]-ethoxyphosphoryl]-N-ethylethanamine
SYSTEMATIC NAME: N-[[(E)-2-chloranylethenoxy]-ethoxy-phosphoryl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H17ClNO3P
MOLECULAR WEIGHT: 241.652241
SMILES: CCN(CC)P(=O)(OCC)O/C=C/Cl
Structure:
CAS RN: 2547-91-3
CAS Name: carbamimidothioic acid [(E)-3-phenylprop-2-enyl] ester hydrochloride
OPENEYE Name: 2-[(E)-cinnamyl]isothiourea hydrochloride
IUPAC Name: [(E)-3-phenylprop-2-enyl] carbamimidothioate hydrochloride
SYSTEMATIC NAME: [(E)-3-phenylprop-2-enyl] carbamimidothioate hydrochloride
MOLECULAR FORMULA: C10H13ClN2S
MOLECULAR WEIGHT: 228.74162
SMILES: C1=CC=C(C=C1)/C=C/CSC(=N)N.Cl
Structure:
CAS RN: 2492-37-7
CAS Name: 1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-1-propanone hydrochloride
OPENEYE Name: 1-[8-[(E)-3-(4-ethoxyphenyl)allyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one hydrochloride
IUPAC Name: 1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one hydrochloride
SYSTEMATIC NAME: 1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one hydrochloride
MOLECULAR FORMULA: C20H29ClN2O2
MOLECULAR WEIGHT: 364.90946
SMILES: CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=C(C=C3)OCC.Cl
Structure:
CAS RN: 2419-68-3
CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one
OPENEYE Name: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-one
IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pent-1-en-3-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 2376-59-2
CAS Name: (Z)-2-butenedioic acid; 2-[2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethoxy]ethanol
OPENEYE Name: maleic acid; 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
IUPAC Name: (Z)-but-2-enedioic acid; 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethoxy]ethanol
MOLECULAR FORMULA: C32H38F3N3O10S
MOLECULAR WEIGHT: 713.71843
SMILES: C1N(CCN(C1)CCOCCO)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)C(F)(F)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 2250-12-6
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-1-propanamine
OPENEYE Name: N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
MOLECULAR FORMULA: C23H26F3NO5
MOLECULAR WEIGHT: 453.45145
SMILES: CC(CN(C)C)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 2189-52-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H29NO5
MOLECULAR WEIGHT: 435.51216
SMILES: C1C[C@H]2CC(C[C@@H]1N2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 1526-66-5
CAS Name: (E)-2-butenedioic acid; 1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
OPENEYE Name: fumaric acid; 1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C24H26F3NO5
MOLECULAR WEIGHT: 465.46215
SMILES: C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 1526-65-4
CAS Name: (E)-2-butenedioic acid; 1-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
OPENEYE Name: fumaric acid; 1-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C24H26F3NO5
MOLECULAR WEIGHT: 465.46215
SMILES: C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 1507-84-2
CAS Name: 1-[3-[(E)-4-phenylbut-3-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1-propanone hydrochloride
OPENEYE Name: 1-[3-[(E)-4-phenylbut-3-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one hydrochloride
IUPAC Name: 1-[3-[(E)-4-phenylbut-3-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one hydrochloride
SYSTEMATIC NAME: 1-[3-[(E)-4-phenylbut-3-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one hydrochloride
MOLECULAR FORMULA: C19H27ClN2O
MOLECULAR WEIGHT: 334.88348
SMILES: CCC(=O)N1C2CCC1CN(C2)CC/C=C/C3=CC=CC=C3.Cl
Structure:
CAS RN: 1507-83-1
CAS Name: (E)-1-[8-(1-oxopropyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-phenyl-1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
IUPAC Name: (E)-3-phenyl-1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-phenyl-1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CCC(=O)N1C2CCC1CN(C2)C(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 908-36-1
CAS Name: 2-hydroxypropanoic acid; 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinamine
OPENEYE Name: 2-hydroxypropanoic acid; 2-[(E)-2-(5-nitro-2-furyl)vinyl]quinolin-4-amine
IUPAC Name: 2-hydroxypropanoic acid; 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine
SYSTEMATIC NAME: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C18H17N3O6
MOLECULAR WEIGHT: 371.34408
SMILES: CC(C(=O)O)O.C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])N
Structure:
CAS RN: 896-22-0
CAS Name: (E)-1-(4-methoxyphenyl)-5-(1-piperidinyl)-1-penten-3-one hydrochloride
OPENEYE Name: (E)-1-(4-methoxyphenyl)-5-(1-piperidyl)pent-1-en-3-one hydrochloride
IUPAC Name: (E)-1-(4-methoxyphenyl)-5-piperidin-1-ylpent-1-en-3-one hydrochloride
SYSTEMATIC NAME: (E)-1-(4-methoxyphenyl)-5-piperidin-1-yl-pent-1-en-3-one hydrochloride
MOLECULAR FORMULA: C17H24ClNO2
MOLECULAR WEIGHT: 309.83096
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)CCN2CCCCC2.Cl
Structure:
CAS RN: 858-15-1
CAS Name: 2-hydroxypropanoic acid; 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-2-quinolinamine
OPENEYE Name: 2-hydroxypropanoic acid; 4-[(E)-2-(5-nitro-2-furyl)vinyl]quinolin-2-amine
IUPAC Name: 2-hydroxypropanoic acid; 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-2-amine
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-2-amine; 2-oxidanylpropanoic acid
MOLECULAR FORMULA: C18H17N3O6
MOLECULAR WEIGHT: 371.34408
SMILES: CC(C(=O)O)O.C1=CC=C2C(=C1)C(=CC(=N2)N)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 832-06-4
CAS Name: (2E)-2-(4-oxo-2-thiazolidinylidene)acetic acid butyl ester
OPENEYE Name: butyl (2E)-2-(4-oxothiazolidin-2-ylidene)acetate
IUPAC Name: butyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
SYSTEMATIC NAME: butyl (2E)-2-(4-oxidanylidene-1,3-thiazolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C9H13NO3S
MOLECULAR WEIGHT: 215.26942
SMILES: CCCCOC(=O)/C=C/1\NC(=O)CS1
Structure:
CAS RN: 749-59-7
CAS Name: (E)-2-butenedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethylethanamine
OPENEYE Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C24H29NO5S
MOLECULAR WEIGHT: 443.55576
SMILES: CCN(CC)CCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 747-44-4
CAS Name: (E)-2-butenedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylethanamine
OPENEYE Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H25NO5S
MOLECULAR WEIGHT: 415.5026
SMILES: CN(C)CCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 664-27-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H46N4+2
MOLECULAR WEIGHT: 582.82004
SMILES: C/C=C\1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=C\N8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C
Structure:
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