CAS RN: 111380-27-9
CAS Name: (E)-2-butenedioic acid; N',N'-diethyl-N-(8-methoxy-4,5-dimethyl-1-pyrido[4,3-b]indolyl)propane-1,3-diamine
OPENEYE Name: N',N'-diethyl-N-(8-methoxy-4,5-dimethyl-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N',N'-diethyl-N-(8-methoxy-4,5-dimethyl-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
MOLECULAR FORMULA: C29H38N4O9
MOLECULAR WEIGHT: 586.63342
SMILES: CCN(CCCNC1=NC=C(C2=C1C3=C(N2C)C=CC(=C3)OC)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-22-4
CAS Name: (E)-2-butenedioic acid; N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
OPENEYE Name: N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-ethyl-N'-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
MOLECULAR FORMULA: C26H32N4O9
MOLECULAR WEIGHT: 544.55368
SMILES: CCNCCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)OC)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-16-6
CAS Name: (Z)-2-butenedioic acid; 2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
OPENEYE Name: maleic acid; 2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
IUPAC Name: (Z)-but-2-enedioic acid; 2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[2-[(4-methyl-5H-pyrido[4,3-b]indol-1-yl)amino]ethylamino]ethanol
MOLECULAR FORMULA: C24H28N4O9
MOLECULAR WEIGHT: 516.50052
SMILES: CC1=CN=C(C2=C1NC3=CC=CC=C23)NCCNCCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-14-4
CAS Name: (E)-2-butenedioic acid; N',N'-dimethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
OPENEYE Name: N',N'-dimethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N',N'-dimethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N',N'-dimethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
MOLECULAR FORMULA: C25H30N4O8
MOLECULAR WEIGHT: 514.5277
SMILES: CC1=CN=C(C2=C1NC3=CC=CC=C23)NCCCN(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 111376-58-0
CAS Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
OPENEYE Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-isobutyl-imidazole
IUPAC Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
SYSTEMATIC NAME: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
MOLECULAR FORMULA: C16H26N2
MOLECULAR WEIGHT: 246.39104
SMILES: CC(C)CN1C=NC=C1/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 111337-50-9
CAS Name: (2E,4E)-hexa-2,4-dienoic acid; (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: (2E,4E)-hexa-2,4-dienoic acid; (2S)-1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid; (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (2E,4E)-hexa-2,4-dienoic acid; (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C21H33NO5
MOLECULAR WEIGHT: 379.49042
SMILES: C/C=C/C=C/C(=O)O.CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOC)O
Structure:
CAS RN: 111116-28-0
CAS Name: (5Z,6S)-4-[2-[[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-6-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl]oxy]-2-oxoethyl]-5-ethylidene-6-[[(2S,3R,4S,5S,6R)-
OPENEYE Name: methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2-oxo-ethyl]-5-ethylid
IUPAC Name: methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3
SYSTEMATIC NAME: methyl (5Z,6S)-4-[2-[(2R,3R,4S,5R,6R)-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-5-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-2-oxidanylidene-ethyl]-5-ethylide
MOLECULAR FORMULA: C46H58O25
MOLECULAR WEIGHT: 1010.93772
SMILES: C/C=C/1\[C@@H](OC=C(C1CC(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC(=C(C=C3)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C(=O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 111047-30-4
CAS Name: 2-hydroxybenzoic acid [(E)-heptadec-15-en-8-yl] ester
OPENEYE Name: [(E)-1-heptyldec-8-enyl] 2-hydroxybenzoate
IUPAC Name: [(E)-heptadec-15-en-8-yl] 2-hydroxybenzoate
SYSTEMATIC NAME: [(E)-heptadec-15-en-8-yl] 2-oxidanylbenzoate
MOLECULAR FORMULA: C24H38O3
MOLECULAR WEIGHT: 374.55672
SMILES: CCCCCCCC(CCCCCC/C=C/C)OC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 204523-06-8
CAS Name: (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
OPENEYE Name: (3S,5R,6R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(Z,1R,4S)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
IUPAC Name: (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
SYSTEMATIC NAME: (3S,5R,6R,9S,10R,13R,14R,17R)-17-[(Z,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
MOLECULAR FORMULA: C28H46O3
MOLECULAR WEIGHT: 430.66304
SMILES: C[C@H](/C=C\[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
Structure:
CAS RN: 128656-74-6
CAS Name: (5Z,8Z,11Z,14Z)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-18-oxidanylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCC(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 133268-58-3
CAS Name: (5Z,8Z,11Z,14Z)-18-hydroxyeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-18-oxidanylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCC(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 132970-80-0
CAS Name: (11E,13E)-2-chloro-17-(3-furanyl)-3-hydroxy-6,10,14-trimethyl-4-heptadeca-11,13-dienone
OPENEYE Name: (11E,13E)-2-chloro-17-(3-furyl)-3-hydroxy-6,10,14-trimethyl-heptadeca-11,13-dien-4-one
IUPAC Name: (11E,13E)-2-chloro-17-(furan-3-yl)-3-hydroxy-6,10,14-trimethylheptadeca-11,13-dien-4-one
SYSTEMATIC NAME: (11E,13E)-2-chloranyl-17-(furan-3-yl)-6,10,14-trimethyl-3-oxidanyl-heptadeca-11,13-dien-4-one
MOLECULAR FORMULA: C24H37ClO3
MOLECULAR WEIGHT: 409.00178
SMILES: CC(CCCC(C)/C=C/C=C(\C)/CCCC1=COC=C1)CC(=O)C(C(C)Cl)O
Structure:
CAS RN: 132922-44-2
CAS Name: (E)-2-methyl-2-butenoic acid [(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl ester
OPENEYE Name: [(1S,2R,4S,4aR,5R,8aR)-4,5-dihydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]decalin-4a-yl]methyl (E)-2-methylbut-2-enoate
IUPAC Name: [(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4R,4aR,5S,7R,8S,8aR)-4-(hydroxymethyl)-7,8-dimethyl-4,5-bis(oxidanyl)-8-[2-(5-oxidanylidene-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C25H38O7
MOLECULAR WEIGHT: 450.56502
SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@@]1(CO)O)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC3=CC(=O)OC3
Structure:
CAS RN: 132621-83-1
CAS Name: acetic acid [(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] ester
OPENEYE Name: [(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
IUPAC Name: [(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] acetate
SYSTEMATIC NAME: [(3R,4S,6S)-6-[(1E,3E)-deca-1,3-dienyl]-4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl] ethanoate
MOLECULAR FORMULA: C22H37NO2
MOLECULAR WEIGHT: 347.53468
SMILES: CCCCCC/C=C/C=C/[C@@H]1CCCC2N1[C@H]([C@@H](CC2)OC(=O)C)C
Structure:
CAS RN: 132171-29-0
CAS Name: 1-butan-2-yl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
OPENEYE Name: 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-sec-butyl-imidazole
IUPAC Name: 1-butan-2-yl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
SYSTEMATIC NAME: 1-butan-2-yl-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]imidazole
MOLECULAR FORMULA: C16H26N2
MOLECULAR WEIGHT: 246.39104
SMILES: CCC(C)N1C=NC=C1/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 132160-45-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C/C/1=C/CC/C(=C/C2C(=C(C(=O)O2)C)CCC3(C(O3)CC1)C)/C
Structure:
CAS RN: 131486-45-8
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(2R)-2,3-bis(oxidanyl)pent-4-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@H](C(C=C)O)O
Structure:
CAS RN: 131484-77-0
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,2S)-2,5-bis(oxidanyl)pent-3-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C[C@@H](/C=C/CO)O
Structure:
CAS RN: 131484-76-9
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,4S)-4,5-bis(oxidanyl)pent-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C/[C@@H](CO)O
Structure:
CAS RN: 131484-74-7
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-3-[(E)-3-[(2S)-2-oxiranyl]prop-2-enyl]-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-2-methyl-3-[(E)-3-[(2S)-oxiran-2-yl]allyl]-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-2-methyl-3-[(E)-3-[(2S)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-2-methyl-4-oxidanylidene-3-[(E)-3-[(2S)-oxiran-2-yl]prop-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H28O4
MOLECULAR WEIGHT: 344.44462
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C/[C@H]3CO3
Structure:
CAS RN: 131484-72-5
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [3-[(2S,3S)-2-acetyloxy-3-methoxypent-4-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [3-[(2S,3S)-2-acetoxy-3-methoxy-pent-4-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [3-[(2S,3S)-2-acetyloxy-3-methoxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [3-[(2S,3S)-2-acetyloxy-3-methoxy-pent-4-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C25H34O8
MOLECULAR WEIGHT: 462.53266
SMILES: CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@@H]([C@H](C=C)OC)OC(=O)C
Structure:
CAS RN: 131484-71-4
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [3-[(2S,3S)-2-hydroxy-3-methoxypent-4-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [3-[(2S,3S)-2-hydroxy-3-methoxy-pent-4-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [3-[(2S,3S)-2-hydroxy-3-methoxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [3-[(2S,3S)-3-methoxy-2-oxidanyl-pent-4-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C23H32O7
MOLECULAR WEIGHT: 420.49598
SMILES: CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@@H]([C@H](C=C)OC)O
Structure:
CAS RN: 131484-70-3
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,2S)-2,5-bis(oxidanyl)pent-3-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@@H](/C=C/CO)O
Structure:
CAS RN: 131484-69-0
CAS Name: (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,4S)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,4S)-4,5-bis(oxidanyl)pent-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(/C)\C(=O)OC)C/C=C/[C@@H](CO)O
Structure:
CAS RN: 131484-66-7
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,2R)-2,5-bis(oxidanyl)pent-3-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C[C@H](/C=C/CO)O
Structure:
CAS RN: 131484-65-6
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,4R)-4,5-bis(oxidanyl)pent-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C/[C@H](CO)O
Structure:
CAS RN: 131484-64-5
CAS Name: (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1S)-2-methyl-3-[(E)-3-[(2R)-2-oxiranyl]prop-2-enyl]-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-2-methyl-3-[(E)-3-[(2R)-oxiran-2-yl]allyl]-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [(1S)-2-methyl-3-[(E)-3-[(2R)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-2-methyl-4-oxidanylidene-3-[(E)-3-[(2R)-oxiran-2-yl]prop-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C21H28O4
MOLECULAR WEIGHT: 344.44462
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C/[C@@H]3CO3
Structure:
CAS RN: 131484-63-4
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,2R)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,2R)-2,5-bis(oxidanyl)pent-3-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@H](/C=C/CO)O
Structure:
CAS RN: 131484-62-3
CAS Name: (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-3-[(E,4R)-4,5-dihydroxypent-2-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-3-[(E,4R)-4,5-bis(oxidanyl)pent-2-enyl]-2-methyl-4-oxidanylidene-cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O7
MOLECULAR WEIGHT: 406.4694
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(/C)\C(=O)OC)C/C=C/[C@H](CO)O
Structure:
CAS RN: 131484-61-2
CAS Name: (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-3-[(E)-3-[(2R)-2-oxiranyl]prop-2-enyl]-4-oxo-1-cyclopent-2-enyl] ester
OPENEYE Name: [(1S)-2-methyl-3-[(E)-3-[(2R)-oxiran-2-yl]allyl]-4-oxo-cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(1S)-2-methyl-3-[(E)-3-[(2R)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(1S)-2-methyl-4-oxidanylidene-3-[(E)-3-[(2R)-oxiran-2-yl]prop-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H28O6
MOLECULAR WEIGHT: 388.45412
SMILES: CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(/C)\C(=O)OC)C/C=C/[C@@H]3CO3
Structure:
CAS RN: 131399-90-1
CAS Name: (Z)-3,4-difluoro-2,2-dimethyl-3-butenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-3,4-difluoro-2,2-dimethyl-but-3-enoate
IUPAC Name: ethyl (Z)-3,4-difluoro-2,2-dimethylbut-3-enoate
SYSTEMATIC NAME: ethyl (Z)-3,4-bis(fluoranyl)-2,2-dimethyl-but-3-enoate
MOLECULAR FORMULA: C8H12F2O2
MOLECULAR WEIGHT: 178.176486
SMILES: CCOC(=O)C(C)(C)/C(=C/F)/F
Structure:
No comments:
Post a Comment