CAS RN: 108102-61-0
CAS Name: (2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methyl-1-oxobutoxy)-3-methyl-1-oxopentoxy]-8-(2-methyl-2-oxiranyl)octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methyl-butanoyl)oxy-3-methyl-pentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E)-8-[3-methyl-2-[3-methyl-2,3-bis(oxidanyl)butanoyl]oxy-pentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C22H32O9
MOLECULAR WEIGHT: 440.48408
SMILES: CCC(C)C(C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(CO1)C)OC(=O)C(C(C)(C)O)O
Structure:
CAS RN: 108102-60-9
CAS Name: (2E,4E,6E)-8-(2-hydroxy-3-methyl-1-oxopentoxy)-8-(2-methyl-2-oxiranyl)octa-2,4,6-trienoic acid
OPENEYE Name: (2E,4E,6E)-8-(2-hydroxy-3-methyl-pentanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
IUPAC Name: (2E,4E,6E)-8-(2-hydroxy-3-methylpentanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
SYSTEMATIC NAME: (2E,4E,6E)-8-(3-methyl-2-oxidanyl-pentanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
MOLECULAR FORMULA: C17H24O6
MOLECULAR WEIGHT: 324.36886
SMILES: CCC(C)C(C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(CO1)C)O
Structure:
CAS RN: 108050-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39NO5
MOLECULAR WEIGHT: 493.63436
SMILES: CC1C/C=C/C2C(C(=C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O
Structure:
CAS RN: 108050-27-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H41NO6
MOLECULAR WEIGHT: 511.64964
SMILES: CC1C/C=C/C2C(C(C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)O)O
Structure:
CAS RN: 108050-26-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H37NO4
MOLECULAR WEIGHT: 451.59768
SMILES: CC1C/C=C/C2C(C(=C(C3C2(C(/C=C/C(C1)(C)O)O)C(=O)NC3CC4=CC=CC=C4)C)C)O
Structure:
CAS RN: 107900-75-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H44N4O3
MOLECULAR WEIGHT: 580.75956
SMILES: C1CCN2CCC3C(=CC(CC/C=C/C1)(C4C3(C2)CC5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O
Structure:
CAS RN: 117631-51-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H44N4O3
MOLECULAR WEIGHT: 580.75956
SMILES: C1CCN2CCC3C(=CC(CC/C=C/C1)(C4C3(C2)CC5N4CCCC(=O)CC5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O
Structure:
CAS RN: 107794-42-3
CAS Name: (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20ClF3O3
MOLECULAR WEIGHT: 424.84061
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 68127-80-0
CAS Name: (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1S,3R)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H20ClF3O3
MOLECULAR WEIGHT: 424.84061
SMILES: CC1([C@H]([C@@H]1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
Structure:
CAS RN: 107537-45-1
CAS Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-1-oxopentyl]amino]pentan-2-yl]-4-oxa
OPENEYE Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(1S,3R)-3-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxy-pentanoyl]amino]-1-methyl-butyl]oxa
IUPAC Name: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]pentan-2-yl]-1,3-oxaz
SYSTEMATIC NAME: [(2R,3R,5R,7R,8S,9S)-3-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-1-methoxy-4,6,8,9,13-pentamethyl-3,5-bis(oxidanyl)tetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S,4R)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(oxidanyl)pentanoyl]amino]pentan-2-yl]-
MOLECULAR FORMULA: C51H83N4O15P
MOLECULAR WEIGHT: 1023.196281
SMILES: C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=C\C#N)/C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)C[C@@H](C)NC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O
Structure:
CAS RN: 107497-60-9
CAS Name: (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2-methyl-3-phenylphenyl)methyl ester
OPENEYE Name: (2-methyl-3-phenyl-phenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (2-methyl-3-phenyl-phenyl)methyl (1R,3R)-3-[(Z)-2-chloranyl-3,3,3-tris(fluoranyl)prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C23H22ClF3O2
MOLECULAR WEIGHT: 422.86779
SMILES: CC1=C(C=CC=C1COC(=O)[C@@H]2[C@@H](C2(C)C)/C=C(/C(F)(F)F)\Cl)C3=CC=CC=C3
Structure:
CAS RN: 126766-32-3
CAS Name: (E)-2-butenedioic acid; 4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester
OPENEYE Name: fumaric acid; methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
IUPAC Name: (E)-but-2-enedioic acid; methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; methyl 4-[2-(3,4-dichlorophenyl)ethanoyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C23H29Cl2N3O7
MOLECULAR WEIGHT: 530.39826
SMILES: COC(=O)N1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 134296-41-6
CAS Name: (E)-2-butenedioic acid; 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]-1-propanone
OPENEYE Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one
MOLECULAR FORMULA: C25H30N2O6S
MOLECULAR WEIGHT: 486.5805
SMILES: CC1=CC(=CC=C1)OCCNCCC(=O)N2CCCSC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 151656-58-5
CAS Name: (Z)-2-butenedioic acid; 2-[1-methyl-4-(3-thiophenyl)-4-piperidinyl]-2-propanol
OPENEYE Name: maleic acid; 2-[1-methyl-4-(3-thienyl)-4-piperidyl]propan-2-ol
IUPAC Name: (Z)-but-2-enedioic acid; 2-(1-methyl-4-thiophen-3-ylpiperidin-4-yl)propan-2-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-(1-methyl-4-thiophen-3-yl-piperidin-4-yl)propan-2-ol
MOLECULAR FORMULA: C17H25NO5S
MOLECULAR WEIGHT: 355.4491
SMILES: CC(C)(C1(CCN(CC1)C)C2=CSC=C2)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 177181-26-9
CAS Name: 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
OPENEYE Name: 5-fluoro-3-[(E)-2-(4-pyridyl)vinyl]-1H-indole
IUPAC Name: 5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
SYSTEMATIC NAME: 5-fluoranyl-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
MOLECULAR FORMULA: C15H11FN2
MOLECULAR WEIGHT: 238.259643
SMILES: C1=CC2=C(C=C1F)C(=CN2)/C=C/C3=CC=NC=C3
Structure:
CAS RN: 124420-40-2
CAS Name: (Z)-3-chloro-4-(3,6-dichloro-4-pyridazinyl)-3-buten-2-one
OPENEYE Name: (Z)-3-chloro-4-(3,6-dichloropyridazin-4-yl)but-3-en-2-one
IUPAC Name: (Z)-3-chloro-4-(3,6-dichloropyridazin-4-yl)but-3-en-2-one
SYSTEMATIC NAME: (Z)-4-[3,6-bis(chloranyl)pyridazin-4-yl]-3-chloranyl-but-3-en-2-one
MOLECULAR FORMULA: C8H5Cl3N2O
MOLECULAR WEIGHT: 251.4971
SMILES: CC(=O)/C(=C/C1=CC(=NN=C1Cl)Cl)/Cl
Structure:
CAS RN: 124053-67-4
CAS Name: (E)-2-butenedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine
OPENEYE Name: N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-isoindolin-2-amine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1,3-dihydroisoindol-2-amine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoranyl-1,3-dihydroisoindol-2-amine
MOLECULAR FORMULA: C15H17FN4O4
MOLECULAR WEIGHT: 336.318283
SMILES: C1CN=C(N1)NN2CC3=C(C2)C(=CC=C3)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 123690-71-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40N4O4
MOLECULAR WEIGHT: 484.6309
SMILES: CC(C)C[C@@H](C(=O)N[C@H]1[C@@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H]3CCCN3C1=O)C(C)C)N(C)C
Structure:
CAS RN: 123562-49-2
CAS Name: (1R,4aS,8S,8aS)-8-[[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
OPENEYE Name: (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
IUPAC Name: (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
SYSTEMATIC NAME: (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanylidene-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
MOLECULAR FORMULA: C25H28O14
MOLECULAR WEIGHT: 552.48142
SMILES: C[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)C(=O)O
Structure:
CAS RN: 123562-48-1
CAS Name: (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-oxanyl]oxy]-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
OPENEYE Name: (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
IUPAC Name: (1R,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
SYSTEMATIC NAME: (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-methyl-3-oxidanylidene-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid
MOLECULAR FORMULA: C25H28O13
MOLECULAR WEIGHT: 536.48202
SMILES: C[C@@H]1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C(=O)O
Structure:
CAS RN: 123562-46-9
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C23H26O11
MOLECULAR WEIGHT: 478.44594
SMILES: C1=CC(=C(C=C1CCO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
Structure:
CAS RN: 123237-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H70O14
MOLECULAR WEIGHT: 859.0503
SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)OC)\C)C
Structure:
CAS RN: 99965-56-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H70O14
MOLECULAR WEIGHT: 859.0503
SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)OC)\C)C
Structure:
CAS RN: 122960-94-5
CAS Name: (5E)-4-[2-[[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxanyl]oxy]-2-oxoethyl]-5-ethylidene-6-[[3,4,5-trihydr
OPENEYE Name: methyl (5E)-4-[2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-2-oxo-e
IUPAC Name: methyl (5E)-4-[2-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydro
SYSTEMATIC NAME: methyl (5E)-4-[2-[2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-5-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-2-oxidanylidene-ethyl]-5-
MOLECULAR FORMULA: C52H68O30
MOLECULAR WEIGHT: 1173.07832
SMILES: C/C=C/1\C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OC3C(C(C(OC3OCCC4=CC(=C(C=C4)O)O)COC5C(C(C(C(O5)CO)O)O)O)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)OC7C(C(C(C(O7)C)O)O)O
Structure:
CAS RN: 122666-15-3
CAS Name: 5-[(E)-non-4-en-5-yl]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-1-butylpent-1-enyl]-1,3-benzodioxole
IUPAC Name: 5-[(E)-non-4-en-5-yl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-non-4-en-5-yl]-1,3-benzodioxole
MOLECULAR FORMULA: C16H22O2
MOLECULAR WEIGHT: 246.34468
SMILES: CCCC/C(=C\CCC)/C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 122666-10-8
CAS Name: (2R,5S,6S)-2-[(1R)-1-bromoethyl]-6-[(E)-3-chloroprop-2-enyl]-2,5-dimethyloxane
OPENEYE Name: (2R,5S,6S)-2-[(1R)-1-bromoethyl]-6-[(E)-3-chloroallyl]-2,5-dimethyl-tetrahydropyran
IUPAC Name: (2R,5S,6S)-2-[(1R)-1-bromoethyl]-6-[(E)-3-chloroprop-2-enyl]-2,5-dimethyloxane
SYSTEMATIC NAME: (2R,5S,6S)-2-[(1R)-1-bromanylethyl]-6-[(E)-3-chloranylprop-2-enyl]-2,5-dimethyl-oxane
MOLECULAR FORMULA: C12H20BrClO
MOLECULAR WEIGHT: 295.6436
SMILES: C[C@H]1CC[C@](O[C@H]1C/C=C/Cl)(C)[C@@H](C)Br
Structure:
CAS RN: 122616-88-0
CAS Name: (2S)-2-methylbutanoic acid [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methyl-1-oxobut-2-enoxy]-2-(5-oxo-2H-furan-3-yl)ethyl]-1-spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]yl] ester
OPENEYE Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetoxy-4a-(acetoxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[decalin-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
IUPAC Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
SYSTEMATIC NAME: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxidanylidene-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
MOLECULAR FORMULA: C34H48O11
MOLECULAR WEIGHT: 632.73832
SMILES: CC[C@H](C)C(=O)O[C@@H]1CCC2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)C[C@@H](C4=CC(=O)OC4)OC(=O)/C(=C/C)/C)COC(=O)C
Structure:
CAS RN: 122271-91-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H42O7
MOLECULAR WEIGHT: 490.62888
SMILES: C[C@@]12CC[C@H]3[C@@H](CC[C@]([C@H](O3)CC/C=C\C=C)(C)O)O[C@H]1C[C@@H]4[C@@H](O2)[C@H](C[C@H](O4)CC(=C)C=O)O
Structure:
CAS RN: 112531-63-2
CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester
OPENEYE Name: (3-phenoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: (3-phenoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: (3-phenoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H26O5
MOLECULAR WEIGHT: 394.46024
SMILES: C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)/C(=O)OC
Structure:
CAS RN: 112516-06-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(1R,3aR,4R,6R,8R,8aR)-1,6-dihydroxy-3a,6-dimethyl-8-(2-methyl-1-oxopropoxy)-5-oxo-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] ester
OPENEYE Name: [(1R,3aR,4R,6R,8R,8aR)-1,6-dihydroxy-1-isopropyl-3a,6-dimethyl-8-(2-methylpropanoyloxy)-5-oxo-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1R,3aR,4R,6R,8R,8aR)-1,6-dihydroxy-3a,6-dimethyl-8-(2-methylpropanoyloxy)-5-oxo-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,3aR,4R,6R,8R,8aR)-3a,6-dimethyl-8-(2-methylpropanoyloxy)-1,6-bis(oxidanyl)-5-oxidanylidene-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C24H38O7
MOLECULAR WEIGHT: 438.55432
SMILES: C/C=C(/C)\C(=O)O[C@H]1C(=O)[C@](C[C@H]([C@H]2[C@]1(CC[C@]2(C(C)C)O)C)OC(=O)C(C)C)(C)O
Structure:
CAS RN: 112513-33-4
CAS Name: (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)-2-propenamide
OPENEYE Name: (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
IUPAC Name: (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C17H22N2O2
MOLECULAR WEIGHT: 286.36878
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)N[C@@H]2CCN3[C@H]2CCC3
Structure:
CAS RN: 112500-87-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H38O3
MOLECULAR WEIGHT: 374.55672
SMILES: CCCC(=O)OC1(CC/C=C(\CC2C3[C@H](C1O2)[C@H](CCC3=C)C(C)C)/C)C
Structure:
CAS RN: 112375-61-8
CAS Name: (Z)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-9-methyl-7-decenamide
OPENEYE Name: (Z)-N-[(3-hydroxy-4-methoxy-phenyl)methyl]-9-methyl-dec-7-enamide
IUPAC Name: (Z)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-9-methyldec-7-enamide
SYSTEMATIC NAME: (Z)-N-[(4-methoxy-3-oxidanyl-phenyl)methyl]-9-methyl-dec-7-enamide
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CC(C)/C=C\CCCCCC(=O)NCC1=CC(=C(C=C1)OC)O
Structure:
CAS RN: 112375-60-7
CAS Name: (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-5-octenamide
OPENEYE Name: (Z)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-7-methyl-oct-5-enamide
IUPAC Name: (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
SYSTEMATIC NAME: (Z)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-7-methyl-oct-5-enamide
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CC(C)/C=C\CCCC(=O)NCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 112375-59-4
CAS Name: (E)-6-methyl-4-heptenoyl chloride
OPENEYE Name: (E)-6-methylhept-4-enoyl chloride
IUPAC Name: (E)-6-methylhept-4-enoyl chloride
SYSTEMATIC NAME: (E)-6-methylhept-4-enoyl chloride
MOLECULAR FORMULA: C8H13ClO
MOLECULAR WEIGHT: 160.64122
SMILES: CC(C)/C=C/CCC(=O)Cl
Structure:
CAS RN: 112375-58-3
CAS Name: (E)-9-methyl-7-decenoyl chloride
OPENEYE Name: (E)-9-methyldec-7-enoyl chloride
IUPAC Name: (E)-9-methyldec-7-enoyl chloride
SYSTEMATIC NAME: (E)-9-methyldec-7-enoyl chloride
MOLECULAR FORMULA: C11H19ClO
MOLECULAR WEIGHT: 202.72096
SMILES: CC(C)/C=C/CCCCCC(=O)Cl
Structure:
CAS RN: 112375-57-2
CAS Name: (E)-7-methyl-5-octenoyl chloride
OPENEYE Name: (E)-7-methyloct-5-enoyl chloride
IUPAC Name: (E)-7-methyloct-5-enoyl chloride
SYSTEMATIC NAME: (E)-7-methyloct-5-enoyl chloride
MOLECULAR FORMULA: C9H15ClO
MOLECULAR WEIGHT: 174.6678
SMILES: CC(C)/C=C/CCCC(=O)Cl
Structure:
CAS RN: 112375-56-1
CAS Name: (E)-6-methyl-4-heptenoic acid methyl ester
OPENEYE Name: methyl (E)-6-methylhept-4-enoate
IUPAC Name: methyl (E)-6-methylhept-4-enoate
SYSTEMATIC NAME: methyl (E)-6-methylhept-4-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CC(C)/C=C/CCC(=O)OC
Structure:
CAS RN: 112375-55-0
CAS Name: (E)-9-methyl-7-decenoic acid methyl ester
OPENEYE Name: methyl (E)-9-methyldec-7-enoate
IUPAC Name: methyl (E)-9-methyldec-7-enoate
SYSTEMATIC NAME: methyl (E)-9-methyldec-7-enoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(C)/C=C/CCCCCC(=O)OC
Structure:
CAS RN: 112375-54-9
CAS Name: (E)-8-methyl-6-nonenoic acid methyl ester
OPENEYE Name: methyl (E)-8-methylnon-6-enoate
IUPAC Name: methyl (E)-8-methylnon-6-enoate
SYSTEMATIC NAME: methyl (E)-8-methylnon-6-enoate
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CC(C)/C=C/CCCCC(=O)OC
Structure:
CAS RN: 112375-53-8
CAS Name: (E)-7-methyl-5-octenoic acid methyl ester
OPENEYE Name: methyl (E)-7-methyloct-5-enoate
IUPAC Name: methyl (E)-7-methyloct-5-enoate
SYSTEMATIC NAME: methyl (E)-7-methyloct-5-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(C)/C=C/CCCC(=O)OC
Structure:
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