CAS RN: 121025-47-6
CAS Name: (E)-2-acetamido-3,4,5,14-tetrahydroxy-6-eicosenoic acid
OPENEYE Name: (E)-2-acetamido-3,4,5,14-tetrahydroxy-icos-6-enoic acid
IUPAC Name: (E)-2-acetamido-3,4,5,14-tetrahydroxyicos-6-enoic acid
SYSTEMATIC NAME: (E)-2-acetamido-3,4,5,14-tetrakis(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C22H41NO7
MOLECULAR WEIGHT: 431.56344
SMILES: CCCCCCC(CCCCCC/C=C/C(C(C(C(C(=O)O)NC(=O)C)O)O)O)O
Structure:
CAS RN: 121025-46-5
CAS Name: (E)-5-acetyloxy-2-amino-3,4,14-trihydroxy-6-eicosenoic acid
OPENEYE Name: (E)-5-acetoxy-2-amino-3,4,14-trihydroxy-icos-6-enoic acid
IUPAC Name: (E)-5-acetyloxy-2-amino-3,4,14-trihydroxyicos-6-enoic acid
SYSTEMATIC NAME: (E)-5-acetyloxy-2-azanyl-3,4,14-tris(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C22H41NO7
MOLECULAR WEIGHT: 431.56344
SMILES: CCCCCCC(CCCCCC/C=C/C(C(C(C(C(=O)O)N)O)O)OC(=O)C)O
Structure:
CAS RN: 121025-45-4
CAS Name: (E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxy-6-eicosenoic acid
OPENEYE Name: (E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxy-icos-6-enoic acid
IUPAC Name: (E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid
SYSTEMATIC NAME: (E,2S,3R,4R,5S,14R)-2-azanyl-3,4,5,14-tetrakis(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C20H39NO6
MOLECULAR WEIGHT: 389.52676
SMILES: CCCCCC[C@H](CCCCCC/C=C/[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)O)O
Structure:
CAS RN: 121025-44-3
CAS Name: (E)-2-(diaminomethylideneamino)-3,4,5,14-tetrahydroxy-6-eicosenoic acid
OPENEYE Name: (E)-2-guanidino-3,4,5,14-tetrahydroxy-icos-6-enoic acid
IUPAC Name: (E)-2-(diaminomethylideneamino)-3,4,5,14-tetrahydroxyicos-6-enoic acid
SYSTEMATIC NAME: (E)-2-[bis(azanyl)methylideneamino]-3,4,5,14-tetrakis(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C21H41N3O6
MOLECULAR WEIGHT: 431.56674
SMILES: CCCCCCC(CCCCCC/C=C/C(C(C(C(C(=O)O)N=C(N)N)O)O)O)O
Structure:
CAS RN: 121024-51-9
CAS Name: 2-[[3-(4-hydroxyphenyl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
OPENEYE Name: N-[1-formyl-2-(4-hydroxyphenyl)ethyl]-2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-4-methyl-pentanamide
IUPAC Name: 2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
SYSTEMATIC NAME: 2-[[3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxidanylidene-propan-2-yl]-4-methyl-pentanamide
MOLECULAR FORMULA: C29H39N3O6
MOLECULAR WEIGHT: 525.63646
SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C=O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CC(C)C
Structure:
CAS RN: 106396-38-7
CAS Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid methyl ester
OPENEYE Name: methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxy-5-methyl-non-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
IUPAC Name: methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
SYSTEMATIC NAME: methyl 5-[(3aS,5R,6R,6aS)-6-[(E,3S)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
MOLECULAR FORMULA: C24H40O4
MOLECULAR WEIGHT: 392.572
SMILES: CCCCC(C)C[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)OC)O)O
Structure:
CAS RN: 120962-76-7
CAS Name: 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid
OPENEYE Name: 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]but-2-enoxy]acetic acid
IUPAC Name: 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid
SYSTEMATIC NAME: 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloranyl-2-[(E)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-3-oxidanyl-cyclopentyl]but-2-enoxy]ethanoic acid
MOLECULAR FORMULA: C20H31ClO5
MOLECULAR WEIGHT: 386.91014
SMILES: C1CCC(CC1)C(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\COCC(=O)O)Cl)O)O
Structure:
CAS RN: 106392-48-7
CAS Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(4-hydroxy-3,5-diisopropyl-phenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]prop-2-enamide
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)N
Structure:
CAS RN: 106372-51-4
CAS Name: (5E)-5-[(2E)-2-[1-(6-hydroxy-6-propylnonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (5E)-5-[(2E)-2-[1-(5-hydroxy-1-methyl-5-propyl-octyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (5E)-5-[(2E)-2-[1-(6-hydroxy-6-propylnonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (5E)-5-[(2E)-2-[7a-methyl-1-(6-oxidanyl-6-propyl-nonan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C31H52O3
MOLECULAR WEIGHT: 472.74278
SMILES: CCCC(CCC)(CCCC(C)C1CCC\2C1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O)C)O
Structure:
CAS RN: 120904-46-3
CAS Name: (5S,6Z,8E,12S,14Z)-5,12-dihydroxyeicosa-6,8,14-trienoic acid
OPENEYE Name: (5S,6Z,8E,12S,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
IUPAC Name: (5S,6Z,8E,12S,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
SYSTEMATIC NAME: (5S,6Z,8E,12S,14Z)-5,12-bis(oxidanyl)icosa-6,8,14-trienoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCC/C=C\C[C@H](CC/C=C/C=C\[C@H](CCCC(=O)O)O)O
Structure:
CAS RN: 67901-99-9
CAS Name: (Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-oxidanyloct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32N2O3
MOLECULAR WEIGHT: 348.47968
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C\CCCC(=O)O)N=N2)O
Structure:
CAS RN: 106342-69-2
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-4-heptenoic acid (4-benzamidophenyl) ester
OPENEYE Name: (4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]hept-4-enoate
IUPAC Name: (4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]hept-4-enoate
SYSTEMATIC NAME: (4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]hept-4-enoate
MOLECULAR FORMULA: C34H37NO8
MOLECULAR WEIGHT: 587.65948
SMILES: C1[C@H]([C@@H]([C@H](C1=O)CC/C=C\CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)OCC(COC4=CC=CC=C4)O)O
Structure:
CAS RN: 106328-50-1
CAS Name: N-hydroxy-N-[(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enyl]acetamide
OPENEYE Name: N-hydroxy-N-[(E)-3-tetralin-6-ylallyl]acetamide
IUPAC Name: N-hydroxy-N-[(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enyl]acetamide
SYSTEMATIC NAME: N-oxidanyl-N-[(E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enyl]ethanamide
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CC(=O)N(C/C=C/C1=CC2=C(CCCC2)C=C1)O
Structure:
CAS RN: 106315-28-0
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methyl-pentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-(4-hydroxy-4-methylpentoxy)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-(4-methyl-4-oxidanyl-pentoxy)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C25H40O4
MOLECULAR WEIGHT: 404.5827
SMILES: C[C@]12CCC/C(=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CCC2OCCCC(C)(C)O
Structure:
CAS RN: 120789-74-4
CAS Name: acetic acid [(2S)-2-acetyloxy-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propyl] ester
OPENEYE Name: [(2S)-2-acetoxy-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propyl] acetate
IUPAC Name: [(2S)-2-acetyloxy-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propyl] acetate
SYSTEMATIC NAME: [(2S)-2-acetyloxy-3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propyl] ethanoate
MOLECULAR FORMULA: C19H26O5
MOLECULAR WEIGHT: 334.40674
SMILES: CC/C=C\C=C/C=C\C=C/C=C\OC[C@@H](COC(=O)C)OC(=O)C
Structure:
CAS RN: 120593-19-3
CAS Name: (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluoranyloct-1-ynyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C21H31FO3
MOLECULAR WEIGHT: 350.467443
SMILES: CCCCC[C@@H](C#C[C@@H]1[C@H](C[C@@H]2[C@H]1C/C(=C\CCCC(=O)O)/C2)O)F
Structure:
CAS RN: 106281-45-2
CAS Name: (E)-2-butenoic acid (6-oxo-1-cyclohexenyl)methyl ester
OPENEYE Name: (6-oxocyclohexen-1-yl)methyl (E)-but-2-enoate
IUPAC Name: (6-oxocyclohexen-1-yl)methyl (E)-but-2-enoate
SYSTEMATIC NAME: (6-oxidanylidenecyclohexen-1-yl)methyl (E)-but-2-enoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C/C=C/C(=O)OCC1=CCCCC1=O
Structure:
CAS RN: 120555-31-9
CAS Name: (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-(3-pyridinyl)pentan-2-yl]deca-2,4-dienamide
OPENEYE Name: (2E,4E)-5-(4-methoxyphenyl)-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]deca-2,4-dienamide
IUPAC Name: (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
MOLECULAR FORMULA: C27H36N2O2
MOLECULAR WEIGHT: 420.58694
SMILES: CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCC1=CN=CC=C1)/C2=CC=C(C=C2)OC
Structure:
CAS RN: 106044-07-9
CAS Name: 3,4-dibromo-2-[(E)-4-(2,3-dibromo-6-carboxyphenoxy)-1,4-dioxobut-2-enoxy]benzoic acid
OPENEYE Name: 3,4-dibromo-2-[(E)-4-(2,3-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
IUPAC Name: 3,4-dibromo-2-[(E)-4-(2,3-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
SYSTEMATIC NAME: 2-[(E)-4-[2,3-bis(bromanyl)-6-carboxy-phenoxy]-4-oxidanylidene-but-2-enoyl]oxy-3,4-bis(bromanyl)benzoic acid
MOLECULAR FORMULA: C18H8Br4O8
MOLECULAR WEIGHT: 671.86732
SMILES: C1=CC(=C(C(=C1C(=O)O)OC(=O)/C=C/C(=O)OC2=C(C=CC(=C2Br)Br)C(=O)O)Br)Br
Structure:
CAS RN: 105955-12-2
CAS Name: (9Z,12Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]octadeca-9,12-dienamide
MOLECULAR FORMULA: C26H41NO3
MOLECULAR WEIGHT: 415.60864
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
Structure:
CAS RN: 105918-76-1
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-(2-oxo-3-thiolanyl)-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-(2-oxothiolan-3-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-N-(2-oxidanylidenethiolan-3-yl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C24H33NO2S
MOLECULAR WEIGHT: 399.58932
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)NC2CCSC2=O)\C)/C
Structure:
CAS RN: 120336-94-9
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(1R)-4-cyclopropyl-1-methyl-butyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-cyclopropylpentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42O2
MOLECULAR WEIGHT: 398.62118
SMILES: C[C@H](CCCC1CC1)C2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@@H](C[C@H](C4=C)O)O)C
Structure:
CAS RN: 120293-93-8
CAS Name: (E)-5-[3-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-3-methyl-2-oxiranyl]-3-methyl-2-pentenoic acid methyl ester
OPENEYE Name: methyl (E)-5-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enoate
IUPAC Name: methyl (E)-5-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-enoate
SYSTEMATIC NAME: methyl (E)-5-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enoate
MOLECULAR FORMULA: C16H26O4
MOLECULAR WEIGHT: 282.37524
SMILES: C/C(=C\C(=O)OC)/CCC1C(O1)(C)CCC2C(O2)(C)C
Structure:
CAS RN: 105687-81-8
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyloctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-octan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H46O3
MOLECULAR WEIGHT: 430.66304
SMILES: CCC(C)(CCC[C@@H](C)[C@@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C)O
Structure:
CAS RN: 105674-81-5
CAS Name: (E)-N-[2-[2-[[(E)-1-oxooct-2-enyl]amino]ethyldisulfanyl]ethyl]-2-octenamide
OPENEYE Name: (E)-N-[2-[2-[[(E)-oct-2-enoyl]amino]ethyldisulfanyl]ethyl]oct-2-enamide
IUPAC Name: (E)-N-[2-[2-[[(E)-oct-2-enoyl]amino]ethyldisulfanyl]ethyl]oct-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[2-[[(E)-oct-2-enoyl]amino]ethyldisulfanyl]ethyl]oct-2-enamide
MOLECULAR FORMULA: C20H36N2O2S2
MOLECULAR WEIGHT: 400.64204
SMILES: CCCCC/C=C/C(=O)NCCSSCCNC(=O)/C=C/CCCCC
Structure:
CAS RN: 120167-25-1
CAS Name: 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrofuro[2,3-b]pyran-3,4-dione
OPENEYE Name: 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrofuro[2,3-b]pyran-3,4-dione
IUPAC Name: 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrofuro[2,3-b]pyran-3,4-dione
SYSTEMATIC NAME: 2-[(1E,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrofuro[2,3-b]pyran-3,4-dione
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC/C=C/C=C/C1(C(=O)C2=C(O1)OC(CC2=O)C)C
Structure:
CAS RN: 105595-17-3
CAS Name: (Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-3-hydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5R)-5-chloro-2-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-2-[(E,3S)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H33ClO4
MOLECULAR WEIGHT: 384.93732
SMILES: C1CCC(CC1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]([C@@H]2C/C=C\CCCC(=O)O)Cl)O)O
Structure:
CAS RN: 105568-35-2
CAS Name: (E)-2-butenedioic acid; [4-[1-(dimethylamino)propan-2-yloxy]phenyl]-[2-[1-(dimethylamino)propan-2-yloxy]-3-pyridinyl]methanone
OPENEYE Name: [4-[2-(dimethylamino)-1-methyl-ethoxy]phenyl]-[2-[2-(dimethylamino)-1-methyl-ethoxy]-3-pyridyl]methanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; [4-[1-(dimethylamino)propan-2-yloxy]phenyl]-[2-[1-(dimethylamino)propan-2-yloxy]pyridin-3-yl]methanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [4-[1-(dimethylamino)propan-2-yloxy]phenyl]-[2-[1-(dimethylamino)propan-2-yloxy]pyridin-3-yl]methanone
MOLECULAR FORMULA: C30H39N3O11
MOLECULAR WEIGHT: 617.64416
SMILES: CC(OC1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)OC(CN(C)C)C)CN(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 105558-26-7
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[[(8R,10R,12S,13R,14S,17S)-17-[(1Z)-1,5-dimethylhexa-1,4-dienyl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(8R,10R,12S,13R,14S,17S)-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methylhepta-2,5-dien-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C36H60O7
MOLECULAR WEIGHT: 604.8574
SMILES: CC(=CC/C=C(/C)\[C@H]1CC[C@]2([C@@H]1[C@H](CC3[C@]2(CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)C
Structure:
CAS RN: 120142-46-3
CAS Name: (1R,6R,10E)-1,6-dihydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
OPENEYE Name: (1R,6R,10E)-1,6-dihydroxy-3-methoxy-2-methylene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
IUPAC Name: (1R,6R,10E)-1,6-dihydroxy-3-methoxy-2-methylidene-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
SYSTEMATIC NAME: (1R,6R,10E)-3-methoxy-2-methylidene-1,6-bis(oxidanyl)-10-propylidene-3-azaspiro[4.5]dec-8-ene-4,7-dione
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: CC/C=C/1\C=CC(=O)[C@@H](C12[C@H](C(=C)N(C2=O)OC)O)O
Structure:
CAS RN: 105450-12-2
CAS Name: 3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]propanoic acid
OPENEYE Name: 3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxo-cyclopentyl]propanoic acid
IUPAC Name: 3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]propanoic acid
SYSTEMATIC NAME: 3-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(1E,5Z)-3-oxidanylocta-1,5-dienyl]cyclopentyl]propanoic acid
MOLECULAR FORMULA: C16H24O5
MOLECULAR WEIGHT: 296.35876
SMILES: CC/C=C\CC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCC(=O)O)O)O
Structure:
CAS RN: 105373-49-7
CAS Name: (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyltrideca-2,4,12-trienoic acid propan-2-yl ester
OPENEYE Name: isopropyl (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyl-trideca-2,4,12-trienoate
IUPAC Name: propan-2-yl (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyltrideca-2,4,12-trienoate
SYSTEMATIC NAME: propan-2-yl (2E,4E,12E)-13-iodanyl-3,7,11-trimethyl-11-oxidanyl-trideca-2,4,12-trienoate
MOLECULAR FORMULA: C19H31IO3
MOLECULAR WEIGHT: 434.35211
SMILES: CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(/C=C/I)O
Structure:
CAS RN: 120040-29-1
CAS Name: (6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
OPENEYE Name: (6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methylene]piperazine-2,5-dione
IUPAC Name: (6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
SYSTEMATIC NAME: (6Z)-1-methyl-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methylidene]piperazine-2,5-dione
MOLECULAR FORMULA: C16H20N2O5
MOLECULAR WEIGHT: 320.3404
SMILES: CC1=C(C(=CC(=C1OC)OC)/C=C\2/C(=O)NCC(=O)N2C)OC
Structure:
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