CAS RN: 511-57-9
CAS Name: (2S,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylenehexanedioic acid
OPENEYE Name: (2S,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylene-hexanedioic acid
IUPAC Name: (2S,5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylidenehexanedioic acid
SYSTEMATIC NAME: (2S,5Z)-5-ethylidene-2-(hydroxymethyl)-3-methylidene-2-oxidanyl-hexanedioic acid
MOLECULAR FORMULA: C10H14O6
MOLECULAR WEIGHT: 230.21456
SMILES: C/C=C(/CC(=C)[C@](CO)(C(=O)O)O)\C(=O)O
Structure:
CAS RN: 469-45-4
CAS Name: (2R,3R,5E)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
OPENEYE Name: (2R,3R,5E)-5-ethylidene-2-hydroxy-2,3-dimethyl-hexanedioic acid
IUPAC Name: (2R,3R,5E)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
SYSTEMATIC NAME: (2R,3R,5E)-5-ethylidene-2,3-dimethyl-2-oxidanyl-hexanedioic acid
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C/C=C(\C[C@@H](C)[C@](C)(C(=O)O)O)/C(=O)O
Structure:
CAS RN: 87178-42-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H53N3O3
MOLECULAR WEIGHT: 551.80292
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)O
Structure:
CAS RN: 7706-67-4
CAS Name: (E)-3-(2,4-dimethoxyphenyl)-2-butenoic acid
OPENEYE Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C/C(=C\C(=O)O)/C1=C(C=C(C=C1)OC)OC
Structure:
CAS RN: 37398-31-5
CAS Name: (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-2-propen-1-one
OPENEYE Name: (E)-1-(2,4-dimethoxyphenyl)-3-(4-pyridyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-yl-prop-2-en-1-one
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=NC=C2)OC
Structure:
CAS RN: 33034-85-4
CAS Name: N-[(Z)-3-(cyclohexylamino)-3-hydroxyprop-2-enyl]-4H-1-benzopyran-2-carboxamide
OPENEYE Name: N-[(Z)-3-(cyclohexylamino)-3-hydroxy-allyl]-4H-chromene-2-carboxamide
IUPAC Name: N-[(Z)-3-(cyclohexylamino)-3-hydroxyprop-2-enyl]-4H-chromene-2-carboxamide
SYSTEMATIC NAME: N-[(Z)-3-(cyclohexylamino)-3-oxidanyl-prop-2-enyl]-4H-chromene-2-carboxamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: C1CCC(CC1)N/C(=C/CNC(=O)C2=CCC3=CC=CC=C3O2)/O
Structure:
CAS RN: 14299-52-6
CAS Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
OPENEYE Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] methyl hydrogen phosphate
IUPAC Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-[2,4,5-tris(chloranyl)phenyl]ethenyl] methyl hydrogen phosphate
MOLECULAR FORMULA: C9H7Cl4O4P
MOLECULAR WEIGHT: 351.935241
SMILES: COP(=O)(O)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 34408-39-4
CAS Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
OPENEYE Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] methyl hydrogen phosphate
IUPAC Name: [(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-[2,4,5-tris(chloranyl)phenyl]ethenyl] methyl hydrogen phosphate
MOLECULAR FORMULA: C9H7Cl4O4P
MOLECULAR WEIGHT: 351.935241
SMILES: COP(=O)(O)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 32467-99-5
CAS Name: (Z)-3-phenyl-2-(3-phenyldiazenylphenyl)-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-3-phenyl-2-(3-phenylazophenyl)prop-2-enoate hydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-3-phenyl-2-(3-phenyldiazenylphenyl)prop-2-enoate hydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-3-phenyl-2-(3-phenyldiazenylphenyl)prop-2-enoate hydrochloride
MOLECULAR FORMULA: C29H30ClN3O2
MOLECULAR WEIGHT: 488.0204
SMILES: CN1C2CCC1CC(C2)OC(=O)/C(=C\C3=CC=CC=C3)/C4=CC(=CC=C4)N=NC5=CC=CC=C5.Cl
Structure:
CAS RN: 32329-83-2
CAS Name: 1-[(E)-3-chloroprop-2-enyl]-N-(2,4-dichlorophenyl)-2-pyrrolidinimine
OPENEYE Name: 1-[(E)-3-chloroallyl]-N-(2,4-dichlorophenyl)pyrrolidin-2-imine
IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-N-(2,4-dichlorophenyl)pyrrolidin-2-imine
SYSTEMATIC NAME: 1-[(E)-3-chloranylprop-2-enyl]-N-(2,4-dichlorophenyl)pyrrolidin-2-imine
MOLECULAR FORMULA: C13H13Cl3N2
MOLECULAR WEIGHT: 303.61472
SMILES: C1CC(=NC2=C(C=C(C=C2)Cl)Cl)N(C1)C/C=C/Cl
Structure:
CAS RN: 32280-92-5
CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(Z)-2,3-dichloroprop-2-enyl]-2-pyrrolidinimine
OPENEYE Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(Z)-2,3-dichloroallyl]pyrrolidin-2-imine
IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-imine
SYSTEMATIC NAME: 1-[(Z)-2,3-bis(chloranyl)prop-2-enyl]-N-[4-chloranyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
MOLECULAR FORMULA: C14H12Cl3F3N2
MOLECULAR WEIGHT: 371.61269
SMILES: C1CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N(C1)C/C(=C/Cl)/Cl
Structure:
CAS RN: 32280-76-5
CAS Name: 1-[(E)-3-chloroprop-2-enyl]-N-(2,6-dichlorophenyl)-2-pyrrolidinimine
OPENEYE Name: 1-[(E)-3-chloroallyl]-N-(2,6-dichlorophenyl)pyrrolidin-2-imine
IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-N-(2,6-dichlorophenyl)pyrrolidin-2-imine
SYSTEMATIC NAME: N-[2,6-bis(chloranyl)phenyl]-1-[(E)-3-chloranylprop-2-enyl]pyrrolidin-2-imine
MOLECULAR FORMULA: C13H13Cl3N2
MOLECULAR WEIGHT: 303.61472
SMILES: C1CC(=NC2=C(C=CC=C2Cl)Cl)N(C1)C/C=C/Cl
Structure:
CAS RN: 32280-73-2
CAS Name: 1-[(E)-3-chloroprop-2-enyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrrolidinimine
OPENEYE Name: 1-[(E)-3-chloroallyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
IUPAC Name: 1-[(E)-3-chloroprop-2-enyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
SYSTEMATIC NAME: 1-[(E)-3-chloranylprop-2-enyl]-N-[4-chloranyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-imine
MOLECULAR FORMULA: C14H13Cl2F3N2
MOLECULAR WEIGHT: 337.16763
SMILES: C1CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N(C1)C/C=C/Cl
Structure:
CAS RN: 32280-72-1
CAS Name: N-(4-chloro-2-methylphenyl)-1-[(E)-3-chloroprop-2-enyl]-2-pyrrolidinimine
OPENEYE Name: 1-[(E)-3-chloroallyl]-N-(4-chloro-2-methyl-phenyl)pyrrolidin-2-imine
IUPAC Name: N-(4-chloro-2-methylphenyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-imine
SYSTEMATIC NAME: N-(4-chloranyl-2-methyl-phenyl)-1-[(E)-3-chloranylprop-2-enyl]pyrrolidin-2-imine
MOLECULAR FORMULA: C14H16Cl2N2
MOLECULAR WEIGHT: 283.19624
SMILES: CC1=C(C=CC(=C1)Cl)N=C2CCCN2C/C=C/Cl
Structure:
CAS RN: 32280-71-0
CAS Name: N-(3-chloro-4-methylphenyl)-1-[(E)-3-chloroprop-2-enyl]-2-pyrrolidinimine
OPENEYE Name: 1-[(E)-3-chloroallyl]-N-(3-chloro-4-methyl-phenyl)pyrrolidin-2-imine
IUPAC Name: N-(3-chloro-4-methylphenyl)-1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-imine
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-1-[(E)-3-chloranylprop-2-enyl]pyrrolidin-2-imine
MOLECULAR FORMULA: C14H16Cl2N2
MOLECULAR WEIGHT: 283.19624
SMILES: CC1=C(C=C(C=C1)N=C2CCCN2C/C=C/Cl)Cl
Structure:
CAS RN: 31979-12-1
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-6-yl)nona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-6-yl)nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-6-yl)nona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-2-en-6-yl)nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C12C(CC=CC1(O2)C)(C)C
Structure:
CAS RN: 31915-46-5
CAS Name: (Z)-2-[4-[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]azophenyl]-3-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[4-[(Z)-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxycarbonyl]-2-phenyl-vinyl]phenyl]azophenyl]-3-phenyl-prop-2-enoate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenyl-prop-2-enoate dihydrochloride
MOLECULAR FORMULA: C46H50Cl2N4O4
MOLECULAR WEIGHT: 793.8196
SMILES: CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CC=C3)/C4=CC=C(C=C4)N=NC5=CC=C(C=C5)/C(=C/C6=CC=CC=C6)/C(=O)OC7CC8N(C(C7)CC8)C.Cl.Cl
Structure:
CAS RN: 34222-64-5
CAS Name: (Z)-2-[4-[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]azophenyl]-3-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[4-[(Z)-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxycarbonyl]-2-phenyl-vinyl]phenyl]azophenyl]-3-phenyl-prop-2-enoate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenyl-prop-2-enoate dihydrochloride
MOLECULAR FORMULA: C46H50Cl2N4O4
MOLECULAR WEIGHT: 793.8196
SMILES: CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CC=C3)/C4=CC=C(C=C4)N=NC5=CC=C(C=C5)/C(=C/C6=CC=CC=C6)/C(=O)OC7CC8N(C(C7)CC8)C.Cl.Cl
Structure:
CAS RN: 31915-45-4
CAS Name: (Z)-2-[3-[3-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]azophenyl]-3-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester dihydrochloride
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[3-[3-[(Z)-1-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxycarbonyl]-2-phenyl-vinyl]phenyl]azophenyl]-3-phenyl-prop-2-enoate dihydrochloride
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[3-[[3-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenylprop-2-enoate dihydrochloride
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[3-[[3-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenyl-prop-2-enoate dihydrochloride
MOLECULAR FORMULA: C46H50Cl2N4O4
MOLECULAR WEIGHT: 793.8196
SMILES: CN1C2CC(CC1CC2)OC(=O)/C(=C\C3=CC=CC=C3)/C4=CC(=CC=C4)N=NC5=CC=CC(=C5)/C(=C/C6=CC=CC=C6)/C(=O)OC7CC8N(C(C7)CC8)C.Cl.Cl
Structure:
CAS RN: 31909-67-8
CAS Name: (Z)-2-butenedioic acid; 11-(1-methyl-4-piperidinylidene)-5-(phenylmethyl)-6H-benzo[c][1]benzazepine
OPENEYE Name: 5-benzyl-11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzazepine; maleic acid
IUPAC Name: 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine; (Z)-but-2-enedioic acid
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 11-(1-methylpiperidin-4-ylidene)-5-(phenylmethyl)-6H-benzo[c][1]benzazepine
MOLECULAR FORMULA: C58H60N4O4
MOLECULAR WEIGHT: 877.1214
SMILES: CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 31791-46-5
CAS Name: (Z)-2-butenedioic acid; 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine
OPENEYE Name: 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine
MOLECULAR FORMULA: C25H28FNO6
MOLECULAR WEIGHT: 457.491323
SMILES: COC1=CC=CC=C1OC2CCN(C2)CC/C=C/C3=CC=C(C=C3)F.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 31775-15-2
CAS Name: (Z)-2-butenedioic acid; 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: maleic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
IUPAC Name: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 31759-21-4
CAS Name: (9E)-9-[3-(dimethylamino)propylidene]-2-thioxanthenol hydrochloride
OPENEYE Name: (9E)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
IUPAC Name: (9E)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
SYSTEMATIC NAME: (9E)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
MOLECULAR FORMULA: C18H20ClNOS
MOLECULAR WEIGHT: 333.8755
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)O.Cl
Structure:
CAS RN: 31759-19-0
CAS Name: (9Z)-9-[3-(dimethylamino)propylidene]-2-thioxanthenol hydrochloride
OPENEYE Name: (9Z)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
IUPAC Name: (9Z)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
SYSTEMATIC NAME: (9Z)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol hydrochloride
MOLECULAR FORMULA: C18H20ClNOS
MOLECULAR WEIGHT: 333.8755
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)O.Cl
Structure:
CAS RN: 31759-18-9
CAS Name: (E)-2-butenedioic acid; 3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]-1-propanamine
OPENEYE Name: 3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
MOLECULAR FORMULA: C27H26ClNO5S
MOLECULAR WEIGHT: 512.01704
SMILES: C1=CC=C(C(=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 31759-17-8
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]-1-propanamine
OPENEYE Name: N,N-dimethyl-3-[2-(p-tolylmethoxy)-9H-thioxanthen-9-yl]propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-3-[2-[(4-methylphenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
MOLECULAR FORMULA: C30H33NO5S
MOLECULAR WEIGHT: 519.65172
SMILES: CC1=CC=C(C=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN(C)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 31759-15-6
CAS Name: (3E)-N,N-dimethyl-3-(2-phenylmethoxy-9-thioxanthenylidene)-1-propanamine hydrochloride
OPENEYE Name: (3E)-3-(2-benzyloxythioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: (3E)-N,N-dimethyl-3-(2-phenylmethoxythioxanthen-9-ylidene)propan-1-amine hydrochloride
SYSTEMATIC NAME: (3E)-N,N-dimethyl-3-(2-phenylmethoxythioxanthen-9-ylidene)propan-1-amine hydrochloride
MOLECULAR FORMULA: C25H26ClNOS
MOLECULAR WEIGHT: 423.99804
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)OCC4=CC=CC=C4.Cl
Structure:
CAS RN: 31759-07-6
CAS Name: (E)-2-butenedioic acid; 3-[(3-chloro-5-benzo[b][1]benzothiepinyl)oxy]-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-propan-1-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C23H24ClNO5S
MOLECULAR WEIGHT: 461.95836
SMILES: CN(C)CCCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 31701-15-2
CAS Name: N,N-diethyl-2-[[(9E)-9-(phenylmethylene)-2-thioxanthenyl]oxy]ethanamine hydrochloride
OPENEYE Name: 2-[(9E)-9-benzylidenethioxanthen-2-yl]oxy-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-[(9E)-9-benzylidenethioxanthen-2-yl]oxy-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[(9E)-9-(phenylmethylidene)thioxanthen-2-yl]oxy-ethanamine hydrochloride
MOLECULAR FORMULA: C26H28ClNOS
MOLECULAR WEIGHT: 438.02462
SMILES: CCN(CC)CCOC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\C4=CC=CC=C4.Cl
Structure:
CAS RN: 31511-20-3
CAS Name: 4-[[5-(3-carboxy-1-oxopropoxy)-4-(dimethylamino)-6-[[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[5-(3-carboxypropanoyloxy)-4-(dimethylamino)-6-[[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-oxo-butanoic acid
IUPAC Name: 4-[5-(3-carboxypropanoyloxy)-4-(dimethylamino)-6-[[(14E)-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyloxan-3-yl]oxy-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[4-(dimethylamino)-6-[[(14E)-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-10-(2-oxidanylideneethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-2-methyl-5-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-oxan-3-yl]oxy-4-oxidanylidene-b
MOLECULAR FORMULA: C39H59NO16
MOLECULAR WEIGHT: 797.88286
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)OC(=O)CCC(=O)O)N(C)C)OC(=O)CCC(=O)O)CC=O)C)C)C
Structure:
CAS RN: 31477-58-4
CAS Name: 1-[2-[4-[(Z)-3-(3-methoxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-[(Z)-3-(3-methoxyphenyl)-2-phenyl-pent-1-enyl]phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-[(Z)-3-(3-methoxyphenyl)-2-phenylpent-1-enyl]phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-[(Z)-3-(3-methoxyphenyl)-2-phenyl-pent-1-enyl]phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C30H35NO2
MOLECULAR WEIGHT: 441.6044
SMILES: CCC(C1=CC(=CC=C1)OC)/C(=C/C2=CC=C(C=C2)OCCN3CCCC3)/C4=CC=CC=C4
Structure:
CAS RN: 31477-57-3
CAS Name: 1-[2-[4-[(Z)-3-(3-fluorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-[(Z)-3-(3-fluorophenyl)-2-phenyl-prop-1-enyl]phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-[(Z)-3-(3-fluorophenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-[(Z)-3-(3-fluorophenyl)-2-phenyl-prop-1-enyl]phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C27H28FNO
MOLECULAR WEIGHT: 401.515723
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)/C=C(/CC3=CC(=CC=C3)F)\C4=CC=CC=C4
Structure:
CAS RN: 31477-56-2
CAS Name: 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenyl-prop-1-enyl]phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-[(Z)-3-(4-methoxyphenyl)-2-phenyl-prop-1-enyl]phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C28H31NO2
MOLECULAR WEIGHT: 413.55124
SMILES: COC1=CC=C(C=C1)C/C(=C/C2=CC=C(C=C2)OCCN3CCCC3)/C4=CC=CC=C4
Structure:
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