CAS RN: 53011-70-4
CAS Name: 7-[(2E,6E,10S)-10-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-1-benzopyran-2-one
OPENEYE Name: 7-[(2E,6E,10S)-10-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-11-hydroxy-3,7,11-trimethyl-dodeca-2,6-dienoxy]chromen-2-one
IUPAC Name: 7-[(2E,6E,10S)-10-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one
SYSTEMATIC NAME: 7-[(2E,6E,10S)-10-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,7,11-trimethyl-11-oxidanyl-dodeca-2,6-dienoxy]chromen-2-one
MOLECULAR FORMULA: C36H52O15
MOLECULAR WEIGHT: 724.78908
SMILES: C/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/CC[C@@H](C(C)(C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 52963-28-7
CAS Name: (E)-2-butenedioic acid; 2-[3-(ethylthio)-11-methyl-5-benzo[b][1]benzazepinyl]-N-methylethanamine
OPENEYE Name: 2-(3-ethylsulfanyl-11-methyl-benzo[b][1]benzazepin-5-yl)-N-methyl-ethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 2-(3-ethylsulfanyl-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(3-ethylsulfanyl-11-methyl-benzo[b][1]benzazepin-5-yl)-N-methyl-ethanamine
MOLECULAR FORMULA: C24H28N2O4S
MOLECULAR WEIGHT: 440.55512
SMILES: CCSC1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2CCNC)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 52867-78-4
CAS Name: (E)-2-butenedioic acid; 5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-oxazol-2-one
OPENEYE Name: 5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-oxazol-2-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 5-[2-(diethylamino)ethyl]-4-(4-fluorophenyl)-3H-1,3-oxazol-2-one
MOLECULAR FORMULA: C19H23FN2O6
MOLECULAR WEIGHT: 394.394123
SMILES: CCN(CC)CCC1=C(NC(=O)O1)C2=CC=C(C=C2)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 52608-00-1
CAS Name: 2-[[5-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-4,7-dimethoxy-6-benzofuranyl]oxy]acetic acid
OPENEYE Name: 2-[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-benzofuran-6-yl]oxyacetic acid
IUPAC Name: 2-[[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C21H17ClO7
MOLECULAR WEIGHT: 416.80848
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCC(=O)O)C(=O)/C=C/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 52539-60-3
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,
OPENEYE Name: butyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nona
IUPAC Name: butyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,
SYSTEMATIC NAME: butyl (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33
MOLECULAR FORMULA: C51H81NO17
MOLECULAR WEIGHT: 980.18534
SMILES: CCCCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 52470-38-9
CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; manganese(2+)
OPENEYE Name: manganous (Z)-4-hydroxy-4-oxo-but-2-enoate
IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; manganese(2+)
SYSTEMATIC NAME: manganese(2+); (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C8H6MnO8
MOLECULAR WEIGHT: 285.066489
SMILES: C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O.[Mn+2]
Structure:
CAS RN: 52454-74-7
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-methylbutanoic acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylam
OPENEYE Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-d
IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxa
SYSTEMATIC NAME: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,
MOLECULAR FORMULA: C46H75NO21
MOLECULAR WEIGHT: 978.0818
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 52454-12-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H58Br2N2O13
MOLECULAR WEIGHT: 982.74492
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCCCC(CBr)Br)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 52400-71-2
CAS Name: (Z)-2-butenedioic acid; N',N'-diethyl-N-(1'-spiro[1,3-benzodioxole-2,2'-cyclohexane]ylmethyl)ethane-1,2-diamine
OPENEYE Name: N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C27H38N2O10
MOLECULAR WEIGHT: 550.59802
SMILES: CCN(CCNCC1C2(OC3=CC=CC=C3O2)CCCC1)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 52370-33-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O14
MOLECULAR WEIGHT: 840.9522
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCCCCCO)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 52370-32-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H64N2O15
MOLECULAR WEIGHT: 885.00476
SMILES: CCCCOCCOCCON/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 52370-31-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O15
MOLECULAR WEIGHT: 856.9516
SMILES: CCOCCOCCON/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 52370-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O15
MOLECULAR WEIGHT: 842.92502
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCOCCOC)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 52370-29-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H72N2O14
MOLECULAR WEIGHT: 973.15448
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCCCCCCCCCOC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 52370-28-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O14
MOLECULAR WEIGHT: 826.92562
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCC(C)OC)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 52212-91-6
CAS Name: acetic acid [(2Z,4Z,8Z,10Z,15Z)-7-hydroxy-12-[(2-hydroxy-1-oxopropyl)amino]-4,10,13,15-tetramethyl-14-oxo-1-cycloheptadeca-2,4,8,10,15-pentaenyl] ester
OPENEYE Name: [(2Z,4Z,8Z,10Z,15Z)-7-hydroxy-12-(2-hydroxypropanoylamino)-4,10,13,15-tetramethyl-14-oxo-cycloheptadeca-2,4,8,10,15-pentaen-1-yl] acetate
IUPAC Name: [(2Z,4Z,8Z,10Z,15Z)-7-hydroxy-12-(2-hydroxypropanoylamino)-4,10,13,15-tetramethyl-14-oxocycloheptadeca-2,4,8,10,15-pentaen-1-yl] acetate
SYSTEMATIC NAME: [(2Z,4Z,8Z,10Z,15Z)-4,10,13,15-tetramethyl-7-oxidanyl-14-oxidanylidene-12-(2-oxidanylpropanoylamino)cycloheptadeca-2,4,8,10,15-pentaen-1-yl] ethanoate
MOLECULAR FORMULA: C26H37NO6
MOLECULAR WEIGHT: 459.57508
SMILES: CC1C(/C=C(\C=C/C(C/C=C(\C=C/C(C/C=C(\C1=O)/C)OC(=O)C)/C)O)/C)NC(=O)C(C)O
Structure:
CAS RN: 52171-91-2
CAS Name: 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid ethyl ester chloride
OPENEYE Name: ethyl 2-[1-[(E)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: ethyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: ethyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C21H32ClNO2
MOLECULAR WEIGHT: 365.93728
SMILES: CCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=C(C=C2)C.[Cl-]
Structure:
CAS RN: 52171-90-1
CAS Name: 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid methyl ester chloride
OPENEYE Name: methyl 2-[1-[(E)-3-methyl-4-(p-tolyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: methyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: methyl 2-[1-[(E)-3-methyl-4-(4-methylphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C20H30ClNO2
MOLECULAR WEIGHT: 351.9107
SMILES: CC1=CC=C(C=C1)C/C(=C/C[N+]2(CCCCC2)CC(=O)OC)/C.[Cl-]
Structure:
CAS RN: 52171-89-8
CAS Name: 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid octyl ester chloride
OPENEYE Name: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C25H39Cl2NO2
MOLECULAR WEIGHT: 456.48866
SMILES: CCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Cl.[Cl-]
Structure:
CAS RN: 52171-88-7
CAS Name: 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid butyl ester chloride
OPENEYE Name: butyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: butyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: butyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C21H31BrClNO2
MOLECULAR WEIGHT: 444.83334
SMILES: CCCCOC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br.[Cl-]
Structure:
CAS RN: 52171-87-6
CAS Name: 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid methyl ester chloride
OPENEYE Name: methyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: methyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: methyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C18H25BrClNO2
MOLECULAR WEIGHT: 402.7536
SMILES: COC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br.[Cl-]
Structure:
CAS RN: 52171-86-5
CAS Name: 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid decyl ester chloride
OPENEYE Name: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C27H43BrClNO2
MOLECULAR WEIGHT: 528.99282
SMILES: CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br.[Cl-]
Structure:
CAS RN: 52171-45-6
CAS Name: (Z)-1-[6-[2-(1-azepanyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(3-hydroxyphenyl)-2-propen-1-one; (E)-2-butenedioic acid
OPENEYE Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; fumaric acid
IUPAC Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C31H35NO10
MOLECULAR WEIGHT: 581.6103
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)/C=C\C4=CC(=CC=C4)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 52171-43-4
CAS Name: (E)-2-butenedioic acid; (Z)-1-[4,7-dimethoxy-6-[2-(4-morpholinyl)ethoxy]-5-benzofuranyl]-3-(2-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (Z)-1-[4,7-dimethoxy-6-(2-morpholinoethoxy)benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; (Z)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (Z)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C29H31NO11
MOLECULAR WEIGHT: 569.55654
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(=O)/C=C\C4=CC=CC=C4O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 52067-57-9
CAS Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-ethyl-5-methyl-1,3,4-thiadiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-ethyl-5-methyl-1,3,4-thiadiazole diiodide
OPENEYE Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-ethyl-5-methyl-1,3,4-thiadiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-ethyl-5-methyl-1,3,4-thiadiazole diiodide
IUPAC Name: (2Z)-2-[(2Z,4E)-3,5-bis(3-ethyl-5-methyl-1,3,4-thiadiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-ethyl-5-methyl-1,3,4-thiadiazole diiodide
SYSTEMATIC NAME: (2Z)-2-[(2Z,4E)-3,5-bis(3-ethyl-5-methyl-1,3,4-thiadiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-ethyl-5-methyl-1,3,4-thiadiazole diiodide
MOLECULAR FORMULA: C20H28I2N6S3
MOLECULAR WEIGHT: 702.48046
SMILES: CCN1/C(=C/C=C(/C=C/C2=[N+](N=C(S2)C)CC)\C3=[N+](N=C(S3)C)CC)/SC(=N1)C.[I-].[I-]
Structure:
CAS RN: 51921-12-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N2O4
MOLECULAR WEIGHT: 340.3731
SMILES: CN1CCC=C2C1CC3=CNC4=CC=CC2=C34.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 51824-61-4
CAS Name: 1-[(E)-2-dichlorophosphorylethenyl]-3-phenylurea
OPENEYE Name: 1-[(E)-2-dichlorophosphorylvinyl]-3-phenyl-urea
IUPAC Name: 1-[(E)-2-dichlorophosphorylethenyl]-3-phenylurea
SYSTEMATIC NAME: 1-[(E)-2-bis(chloranyl)phosphorylethenyl]-3-phenyl-urea
MOLECULAR FORMULA: C9H9Cl2N2O2P
MOLECULAR WEIGHT: 279.059721
SMILES: C1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(Cl)Cl
Structure:
CAS RN: 51808-66-3
CAS Name: 1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine; (E)-2-butenedioic acid
OPENEYE Name: 1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine; fumaric acid
IUPAC Name: 1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperidine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C25H27F2NO4
MOLECULAR WEIGHT: 443.482986
SMILES: C1CCN(CC1)CCC=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 51799-58-7
CAS Name: 2-hydroxy-N-[(4Z,6Z,10Z,12Z)-3,9,19-trihydroxy-6,12,15,18-tetramethyl-16-oxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]propanamide
OPENEYE Name: 2-hydroxy-N-[(4Z,6Z,10Z,12Z)-3,9,19-trihydroxy-6,12,15,18-tetramethyl-16-oxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]propanamide
IUPAC Name: 2-hydroxy-N-[(4Z,6Z,10Z,12Z)-3,9,19-trihydroxy-6,12,15,18-tetramethyl-16-oxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]propanamide
SYSTEMATIC NAME: 2-oxidanyl-N-[(4Z,6Z,10Z,12Z)-6,12,15,18-tetramethyl-3,9,19-tris(oxidanyl)-16-oxidanylidene-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]propanamide
MOLECULAR FORMULA: C25H37NO7
MOLECULAR WEIGHT: 463.56378
SMILES: CC1C2CC(/C=C\C(=C/CC(/C=C\C(=C/C(C(C1O)(C(=O)O2)C)NC(=O)C(C)O)\C)O)\C)O
Structure:
CAS RN: 51799-57-6
CAS Name: acetic acid [(4Z,6Z,10Z,12Z)-3-acetyloxy-14-[(2-hydroxy-1-oxopropyl)amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(4Z,6Z,10Z,12Z)-3-acetoxy-14-(2-hydroxypropanoylamino)-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
IUPAC Name: [(4Z,6Z,10Z,12Z)-3-acetyloxy-14-(2-hydroxypropanoylamino)-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
SYSTEMATIC NAME: [(4Z,6Z,10Z,12Z)-3-acetyloxy-6,12,15,18-tetramethyl-16,19-bis(oxidanylidene)-14-(2-oxidanylpropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ethanoate
MOLECULAR FORMULA: C29H39NO9
MOLECULAR WEIGHT: 545.62126
SMILES: CC1C2CC(/C=C\C(=C/CC(/C=C\C(=C/C(C(C1=O)(C(=O)O2)C)NC(=O)C(C)O)\C)OC(=O)C)\C)OC(=O)C
Structure:
CAS RN: 51781-36-3
CAS Name: (Z)-2-butenedioic acid; 5-[3-(ethylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
OPENEYE Name: 5-[3-(ethylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-quinolin-2-one; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 5-[3-(ethylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-[3-(ethylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C18H24N2O7
MOLECULAR WEIGHT: 380.39236
SMILES: CCNCC(COC1=CC=CC2=C1CCC(=O)N2)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 51773-74-1
CAS Name: acetic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,15S)-3-hydroxy-14-[[(2R)-2-hydroxy-1-oxopropyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S)-3-hydroxy-14-[[(2R)-2-hydroxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S)-3-hydroxy-14-[[(2R)-2-hydroxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] acetate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-[[(2R)-2-oxidanylpropanoyl]amino]-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ethanoate
MOLECULAR FORMULA: C27H37NO8
MOLECULAR WEIGHT: 503.58458
SMILES: CC1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)O)\C)OC(=O)C)\C)O
Structure:
CAS RN: 51741-82-3
CAS Name: N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxo-1-cycloheptadeca-2,4,8,10,14-pentaenyl]-2-hydroxypropanamide
OPENEYE Name: N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxo-cycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxy-propanamide
IUPAC Name: N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide
SYSTEMATIC NAME: 2-oxidanyl-N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-3,9,15,17-tetramethyl-6,12-bis(oxidanyl)-16-oxidanylidene-cycloheptadeca-2,4,8,10,14-pentaen-1-yl]propanamide
MOLECULAR FORMULA: C24H35NO5
MOLECULAR WEIGHT: 417.5384
SMILES: C[C@H]1C(/C=C(\C=C/[C@H](C/C=C(\C=C/[C@H](C/C=C(\C1=O)/C)O)/C)O)/C)NC(=O)C(C)O
Structure:
CAS RN: 51733-51-8
CAS Name: pentanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-14-(1,2-dioxopropylamino)-6,12,15,18-tetramethyl-16,19-dioxo-3-(1-oxopentoxy)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-3-pentanoyloxy-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-3-pentanoyloxy-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-3-pentanoyloxy-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
MOLECULAR FORMULA: C35H49NO9
MOLECULAR WEIGHT: 627.76486
SMILES: CCCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)OC(=O)CCCC)/C
Structure:
CAS RN: 51733-49-4
CAS Name: butanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-14-(1,2-dioxopropylamino)-6,12,15,18-tetramethyl-16,19-dioxo-3-(1-oxobutoxy)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-butanoyloxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-butanoyloxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-butanoyloxy-6,12,15,18-tetramethyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
MOLECULAR FORMULA: C33H45NO9
MOLECULAR WEIGHT: 599.7117
SMILES: CCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)OC(=O)CCC)/C
Structure:
CAS RN: 51733-45-0
CAS Name: pentanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-14-(1,2-dioxopropylamino)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] pentanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] pentanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-9-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] pentanoate
MOLECULAR FORMULA: C30H41NO8
MOLECULAR WEIGHT: 543.64844
SMILES: CCCCC(=O)O[C@H]\1C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C/[C@H](C/C=C(\C=C1)/C)O)/C)NC(=O)C(=O)C)(C(=O)O2)C)C
Structure:
CAS RN: 51733-43-8
CAS Name: butanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-14-(1,2-dioxopropylamino)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] butanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] butanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-9-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] butanoate
MOLECULAR FORMULA: C29H39NO8
MOLECULAR WEIGHT: 529.62186
SMILES: CCCC(=O)O[C@H]\1C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C/[C@H](C/C=C(\C=C1)/C)O)/C)NC(=O)C(=O)C)(C(=O)O2)C)C
Structure:
CAS RN: 51733-38-1
CAS Name: pentanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-14-(1,2-dioxopropylamino)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S,18R)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] pentanoate
MOLECULAR FORMULA: C30H41NO8
MOLECULAR WEIGHT: 543.64844
SMILES: CCCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2[C@H](C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)O)/C
Structure:
CAS RN: 51733-36-9
CAS Name: butanoic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S)-14-(1,2-dioxopropylamino)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S)-3-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,14R,15S)-6,12,15,18-tetramethyl-3-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-9-yl] butanoate
MOLECULAR FORMULA: C29H39NO8
MOLECULAR WEIGHT: 529.62186
SMILES: CCCC(=O)O[C@H]\1C/C=C(\C=C/[C@H](C[C@@H]2C(C(=O)[C@]([C@@H](/C=C(\C=C1)/C)NC(=O)C(=O)C)(C(=O)O2)C)C)O)/C
Structure:
CAS RN: 51707-21-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H67N3O13
MOLECULAR WEIGHT: 894.05788
SMILES: CCCCCCCCCC(=O)NN/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 51707-12-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H52BrN3O13
MOLECULAR WEIGHT: 922.81068
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC(=O)C5=CC=C(C=C5)Br)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
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