CAS RN: 102821-00-1
CAS Name: 5-(aminomethyl)-1-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
OPENEYE Name: 5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
IUPAC Name: 5-(aminomethyl)-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
SYSTEMATIC NAME: 5-(aminomethyl)-1-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
MOLECULAR FORMULA: C19H17Cl2N5O2
MOLECULAR WEIGHT: 418.27658
SMILES: CN(C)C(=O)C1=NN(C(=N1)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl
Structure:
CAS RN: 102812-95-3
CAS Name: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
OPENEYE Name: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
IUPAC Name: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]acetonitrile
SYSTEMATIC NAME: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]ethanenitrile
MOLECULAR FORMULA: C23H33NO2
MOLECULAR WEIGHT: 355.51362
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CC#N
Structure:
CAS RN: 102791-34-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H7NO4
MOLECULAR WEIGHT: 265.22038
SMILES: C1=CC2=C3C(=C1)C(=O)OC4=C(C=CC(=C34)C=C2)[N+](=O)[O-]
Structure:
CAS RN: 102768-28-5
CAS Name: 1,8-dihydroxy-10-(2-methyl-1-oxopropyl)-10H-anthracen-9-one
OPENEYE Name: 1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one
IUPAC Name: 1,8-dihydroxy-10-(2-methylpropanoyl)-10H-anthracen-9-one
SYSTEMATIC NAME: 10-(2-methylpropanoyl)-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: CC(C)C(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 102734-12-3
CAS Name: (2aS,4aS,5S,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,5-diol
OPENEYE Name: (2aS,4aS,5S,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,5-diol
IUPAC Name: (2aS,4aS,5S,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,5-diol
SYSTEMATIC NAME: (2aS,4aS,5S,7aS,7bR)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1H-cyclobuta[e]indene-2a,5-diol
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: C[C@]12CC[C@@]3([C@@H]([C@]1(C=C[C@@H]2O)CO)CC3(C)C)O
Structure:
CAS RN: 185110-47-8
CAS Name: (1S,3R,4R)-3-(6-fluoranyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
OPENEYE Name: (1S,3R,4R)-3-(6-fluoranyl-3-pyridyl)-7-azabicyclo[2.2.1]heptane
IUPAC Name: (1S,3R,4R)-3-(6-fluoranylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane
SYSTEMATIC NAME: (1S,3R,4R)-3-(6-fluoranylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane
MOLECULAR FORMULA: C11H13FN2
MOLECULAR WEIGHT: 191.235258
SMILES: C1C[C@@H]2[C@H](C[C@H]1N2)C3=CN=C(C=C3)[18F]
Structure:
CAS RN: 102731-57-7
CAS Name: octanoic acid [(2R)-2-(1-oxooctoxy)-3-phosphonooxypropyl] ester
OPENEYE Name: [(2R)-2-octanoyloxy-3-phosphonooxy-propyl] octanoate
IUPAC Name: [(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate
SYSTEMATIC NAME: [(2R)-2-octanoyloxy-3-phosphonooxy-propyl] octanoate
MOLECULAR FORMULA: C19H37O8P
MOLECULAR WEIGHT: 424.466041
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
Structure:
CAS RN: 102719-84-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC[C@]12CC(=C3C4([C@H]1N(CC4)C(=O)C=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC
Structure:
CAS RN: 102717-63-5
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2S,3S,5R,6S)-6-[[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxy-3-oxanyl]oxy]-4,5-dimethoxy-2-methyl-3-oxanyl]oxy]-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxy-tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-methyl-tetrahydropyran-3-yl]oxy-4-methoxy-6-(methoxymethyl)tetrahydropyran-3,5-diol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-6-[(2R,3R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-propoxyoxan-3-yl]oxy-4,5-dimethoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(2S,3S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4R,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-2-propoxy-oxan-3-yl]oxy-2-methyl-oxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
MOLECULAR FORMULA: C26H48O14
MOLECULAR WEIGHT: 584.65092
SMILES: CCCO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)OC)O[C@H]2[C@@H](C([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC)O)OC)O)OC)OC
Structure:
CAS RN: 102717-28-2
CAS Name: N-[4-[[3,5-dihydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]phenyl]-2,2,2-trifluoroacetamide
OPENEYE Name: N-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyphenyl]-2,2,2-trifluoro-acetamide
IUPAC Name: N-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[4-[4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]ethanamide
MOLECULAR FORMULA: C26H36F3NO17
MOLECULAR WEIGHT: 691.55575
SMILES: C1=CC(=CC=C1NC(=O)C(F)(F)F)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Structure:
CAS RN: 102714-80-7
CAS Name: (2S)-2-[[2-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-methyl-propanoyl]amino]-3-phenyl-propanoate
IUPAC Name: methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C24H37N3O6S
MOLECULAR WEIGHT: 495.63208
SMILES: CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC
Structure:
CAS RN: 102698-88-4
CAS Name: 2-phenylbenzoic acid 3-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(diethylamino)propyl 2-phenylbenzoate hydrochloride
IUPAC Name: 3-(diethylamino)propyl 2-phenylbenzoate hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)propyl 2-phenylbenzoate hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: CCN(CC)CCCOC(=O)C1=CC=CC=C1C2=CC=CC=C2.Cl
Structure:
CAS RN: 102698-53-3
CAS Name: 4-fluorobenzoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 4-fluorobenzoate
IUPAC Name: (1-methylpiperidin-4-yl) 4-fluorobenzoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 4-fluoranylbenzoate
MOLECULAR FORMULA: C13H16FNO2
MOLECULAR WEIGHT: 237.270043
SMILES: CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 102694-32-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12O6
MOLECULAR WEIGHT: 348.30568
SMILES: C1=CC(=C2C3=C1C4=C5C(=C(C=C4)O)C(=O)C=C[C@]5([C@@H]3C6C(C2=O)O6)O)O
Structure:
CAS RN: 102691-36-1
CAS Name: 3-bis[di(propan-2-yl)amino]phosphinooxypropanenitrile
OPENEYE Name: 3-bis(diisopropylamino)phosphanyloxypropanenitrile
IUPAC Name: 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile
SYSTEMATIC NAME: 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile
MOLECULAR FORMULA: C15H32N3OP
MOLECULAR WEIGHT: 301.407841
SMILES: CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCC#N
Structure:
CAS RN: 102686-21-5
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3,4-dimethylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C22H30N6O13P2
MOLECULAR WEIGHT: 648.453522
SMILES: CC1=C(C=[N+](C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C
Structure:
CAS RN: 102681-52-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)O)OC)OCO3
Structure:
CAS RN: 102674-89-5
CAS Name: 2,3,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
OPENEYE Name: 2,3,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
IUPAC Name: 2,3,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: 3-methyl-2,3,8-tris(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C19H14O6
MOLECULAR WEIGHT: 338.31086
SMILES: CC1(CC2=C(C(=O)C1O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O
Structure:
CAS RN: 102674-88-4
CAS Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyl-2-oxanyl)-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-(1-oxopropoxy)pentanoic acid
OPENEYE Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxy-pentanoic acid
IUPAC Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
SYSTEMATIC NAME: 4-[3,8-dimethyl-3-[5-methyl-5-[3-methyl-5-(3,5,6-trimethyl-6-oxidanyl-oxan-2-yl)oxolan-2-yl]oxolan-2-yl]-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxy-pentanoic acid
MOLECULAR FORMULA: C37H62O11
MOLECULAR WEIGHT: 682.88158
SMILES: CCC(=O)OC(C(C)C1C(C(CC2(O1)CCC(O2)(C)C3CCC(O3)(C)C4C(CC(O4)C5C(CC(C(O5)(C)O)C)C)C)O)C)C(C)C(=O)O
Structure:
CAS RN: 102673-95-0
CAS Name: 5-[1-carboxy-3-(trimethylammonio)propan-2-yl]oxy-3-methyl-5-oxopentanoate
OPENEYE Name: 5-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-3-methyl-5-oxo-pentanoate
IUPAC Name: 5-[1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-3-methyl-5-oxopentanoate
SYSTEMATIC NAME: 3-methyl-5-oxidanylidene-5-[4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-pentanoate
MOLECULAR FORMULA: C13H23NO6
MOLECULAR WEIGHT: 289.32482
SMILES: CC(CC(=O)[O-])CC(=O)OC(CC(=O)O)C[N+](C)(C)C
Structure:
CAS RN: 102671-35-2
CAS Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridin-4-ylurea
OPENEYE Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(4-pyridyl)urea
IUPAC Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridin-4-ylurea
SYSTEMATIC NAME: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridin-4-yl-urea
MOLECULAR FORMULA: C11H14N4O
MOLECULAR WEIGHT: 218.25506
SMILES: C1CN(CC=C1)NC(=O)NC2=CC=NC=C2
Structure:
CAS RN: 102520-47-8
CAS Name: 10-(1H-indol-3-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
OPENEYE Name: 10-(1H-indol-3-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
IUPAC Name: 10-(1H-indol-3-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
SYSTEMATIC NAME: 10-(1H-indol-3-ylmethyl)-9-methyl-1,4-dioxa-9-azaspiro[4.5]decane
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: CN1CCCC2(C1CC3=CNC4=CC=CC=C43)OCCO2
Structure:
CAS RN: 102651-69-4
CAS Name: 3-(4-heptan-2-yloxy-1H-indol-7-yl)-1-cyclohexanol
OPENEYE Name: 3-[4-(1-methylhexoxy)-1H-indol-7-yl]cyclohexanol
IUPAC Name: 3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
SYSTEMATIC NAME: 3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C21H31NO2
MOLECULAR WEIGHT: 329.47634
SMILES: CCCCCC(C)OC1=C2C=CNC2=C(C=C1)C3CCCC(C3)O
Structure:
CAS RN: 102644-20-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H35ClN4O9
MOLECULAR WEIGHT: 679.1161
SMILES: CN[C@H]1CO[C@H](C[C@@H]1O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)N3C4=C(C=CC=C4Cl)C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC
Structure:
CAS RN: 102644-19-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H33ClN4O9
MOLECULAR WEIGHT: 665.08952
SMILES: CN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)N(C3=C5C(=C2C1=O)C6=CC=CC=C6N5)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8C[C@@H]([C@H](CO8)N)O)OC)O)O
Structure:
CAS RN: 102641-82-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H36O9
MOLECULAR WEIGHT: 468.53724
SMILES: CC(=O)OC[C@]1([C@@H]2CC[C@H]3[C@]45CCCC([C@H]4[C@@H]([C@]([C@@]3([C@@H]1O)C2O)(OC5)O)OC(=O)C)(C)C)O
Structure:
CAS RN: 102637-05-8
CAS Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetoxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
IUPAC Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6b,9,9,12a-hexamethyl-6a-(phenylcarbonyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C39H54O6
MOLECULAR WEIGHT: 618.84246
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)C6=CC=CC=C6)C)C
Structure:
CAS RN: 102637-02-5
CAS Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-5a-(benzoyloxymethyl)-1-isopropenyl-5b,8,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
IUPAC Name: methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
SYSTEMATIC NAME: methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5b,8,8,11a-tetramethyl-5a-(phenylcarbonyloxymethyl)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
MOLECULAR FORMULA: C40H56O6
MOLECULAR WEIGHT: 632.86904
SMILES: CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)COC(=O)C6=CC=CC=C6)C)(C)C)OC(=O)C)C)C(=O)OC
Structure:
CAS RN: 102637-01-4
CAS Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester
OPENEYE Name: methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetoxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC Name: methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: methyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6b,9,9,12a-hexamethyl-6a-(phenylcarbonyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
MOLECULAR FORMULA: C40H56O6
MOLECULAR WEIGHT: 632.86904
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)COC(=O)C6=CC=CC=C6)C)C
Structure:
CAS RN: 102623-18-7
CAS Name: (2S,3S,4S,5R,6S)-6-[[2-(2,3-dimethylanilino)phenyl]-oxomethoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[2-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[2-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[2-[(2,3-dimethylphenyl)amino]phenyl]carbonyloxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H23NO8
MOLECULAR WEIGHT: 417.40922
SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C
Structure:
CAS RN: 102615-51-0
CAS Name: 2-amino-3-[[2-amino-3-[4-[(6-methoxy-8-quinolinyl)amino]pentylamino]-3-oxopropyl]disulfanyl]-N-[4-[(6-methoxy-8-quinolinyl)amino]pentyl]propanamide
OPENEYE Name: 2-amino-3-[[2-amino-3-[4-[(6-methoxy-8-quinolyl)amino]pentylamino]-3-oxo-propyl]disulfanyl]-N-[4-[(6-methoxy-8-quinolyl)amino]pentyl]propanamide
IUPAC Name: 2-amino-3-[[2-amino-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-3-oxopropyl]disulfanyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
SYSTEMATIC NAME: 2-azanyl-3-[[2-azanyl-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-3-oxidanylidene-propyl]disulfanyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
MOLECULAR FORMULA: C36H50N8O4S2
MOLECULAR WEIGHT: 722.9634
SMILES: CC(CCCNC(=O)C(CSSCC(C(=O)NCCCC(C)NC1=C2C(=CC(=C1)OC)C=CC=N2)N)N)NC3=C4C(=CC(=C3)OC)C=CC=N4
Structure:
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