CAS RN: 142561-96-4
CAS Name: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyl-1-oxooct-2-enoxy]-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
OPENEYE Name: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
IUPAC Name: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
SYSTEMATIC NAME: (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-bis(oxidanyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
MOLECULAR FORMULA: C35H46O14
MOLECULAR WEIGHT: 690.73134
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O
Structure:
CAS RN: 106328-57-8
CAS Name: N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide
OPENEYE Name: N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)allyl]acetamide
IUPAC Name: N-hydroxy-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]acetamide
SYSTEMATIC NAME: N-oxidanyl-N-[(E)-3-(3-phenoxyphenyl)prop-2-enyl]ethanamide
MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: CC(=O)N(C/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)O
Structure:
CAS RN: 129468-28-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H27NO4
MOLECULAR WEIGHT: 429.50758
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C\C6=CC=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O
Structure:
CAS RN: 109028-10-6
CAS Name: (Z)-2-butenedioic acid; 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
OPENEYE Name: maleic acid; 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
IUPAC Name: (Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
MOLECULAR FORMULA: C21H21F3N4O4
MOLECULAR WEIGHT: 450.41105
SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 104162-48-3
CAS Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylammonium chloride
OPENEYE Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethyl-ammonium chloride
IUPAC Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylazanium chloride
SYSTEMATIC NAME: 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethyl-azanium chloride
MOLECULAR FORMULA: C42H84ClNO2
MOLECULAR WEIGHT: 670.57486
SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Cl-]
Structure:
CAS RN: 20298-86-6
CAS Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-2-pyrrolidinylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxo-2-pyrrolyl)methylidene]-4-methyl-3-pyrrolyl]propanoic acid
OPENEYE Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylene]-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylene]-4-methyl-pyrrol-3-yl]propanoic acid
IUPAC Name: 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2Z,5E)-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-3-yl]propanoic a
MOLECULAR FORMULA: C33H38N4O6
MOLECULAR WEIGHT: 586.67802
SMILES: CCC1=C(C(=NC1=O)/C=C/2\C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C/C)/[C@H](C(=O)N4)C)C)CCC(=O)O)/N2)CCC(=O)O)C)C
Structure:
CAS RN: 25448-00-4
CAS Name: (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
OPENEYE Name: (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
IUPAC Name: (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)O
Structure:
CAS RN: 124924-85-2
CAS Name: (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-4-(4-iodanylphenoxy)-3-oxidanyl-but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C23H29IO5
MOLECULAR WEIGHT: 510.377984
SMILES: C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@H](COC3=CC=C(C=C3)[125I])O
Structure:
CAS RN: 107091-89-4
CAS Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole
OPENEYE Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole
IUPAC Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
SYSTEMATIC NAME: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
MOLECULAR FORMULA: C26H24N2O3S2
MOLECULAR WEIGHT: 476.61036
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)C
Structure:
CAS RN: 24147-36-2
CAS Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole
OPENEYE Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole
IUPAC Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
SYSTEMATIC NAME: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
MOLECULAR FORMULA: C26H24N2O3S2
MOLECULAR WEIGHT: 476.61036
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)C
Structure:
CAS RN: 27071-67-6
CAS Name: (2S,3S,4S,5R,6R)-5-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-1-oxopropoxy]-3,4,6-trihydroxy-2-oxane
OPENEYE Name: (2S,3S,4S,5R,6R)-5-[3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoyloxy]-3,4,6-trihydroxy-tetrahydro
IUPAC Name: (2S,3S,4S,5R,6R)-5-[3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoyloxy]-3,4,6-trihydroxyoxane-2-c
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-5-[3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylo
MOLECULAR FORMULA: C39H44N4O12
MOLECULAR WEIGHT: 760.78626
SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C=C)C)C)CCC(=O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O)C(=O)O)O)O)/C=C\5/C(=C(C(=O)N5)C)C=C
Structure:
CAS RN: 262-76-0
CAS Name: (5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin
OPENEYE Name: (5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin
IUPAC Name: (5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin
SYSTEMATIC NAME: (5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin
MOLECULAR FORMULA: C19H22N4
MOLECULAR WEIGHT: 306.40478
SMILES: C1CC\2=NC1C3CCC(=N3)/C=C\4/CCC(=N4)/C=C\5/CC/C(=C2)/N5
Structure:
CAS RN: 63250-09-9
CAS Name: (Z)-5-[(2R,4S,6R)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxanyl]-3-pentenoic acid
OPENEYE Name: (Z)-5-[(2R,4S,6R)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]pent-3-enoic acid
IUPAC Name: (Z)-5-[(2R,4S,6R)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
SYSTEMATIC NAME: (Z)-5-[(2R,4S,6R)-4,6-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]oxan-3-yl]pent-3-enoic acid
MOLECULAR FORMULA: C18H30O6
MOLECULAR WEIGHT: 342.4272
SMILES: CCCCC[C@@H](/C=C/[C@@H]1C([C@H](C[C@@H](O1)O)O)C/C=C\CC(=O)O)O
Structure:
CAS RN: 110425-49-5
CAS Name: 1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dibutyl-5-[(E)-3-[1,3-dibutyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C27H40N4O6
MOLECULAR WEIGHT: 516.6297
SMILES: CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)/C=C/C=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC
Structure:
CAS RN: 140850-73-3
CAS Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-5-hexen-3-amine
OPENEYE Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-hex-5-en-3-amine
IUPAC Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine
SYSTEMATIC NAME: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-hex-5-en-3-amine
MOLECULAR FORMULA: C23H29N
MOLECULAR WEIGHT: 319.48306
SMILES: CCC(C/C=C/C1=CC=CC=C1)(C2=CC=CC=C2)N(C)CC3CC3
Structure:
CAS RN: 130152-35-1
CAS Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-5-hexen-3-amine hydrochloride
OPENEYE Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-hex-5-en-3-amine hydrochloride
IUPAC Name: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine hydrochloride
SYSTEMATIC NAME: (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenyl-hex-5-en-3-amine hydrochloride
MOLECULAR FORMULA: C23H30ClN
MOLECULAR WEIGHT: 355.944
SMILES: CCC(C/C=C/C1=CC=CC=C1)(C2=CC=CC=C2)N(C)CC3CC3.Cl
Structure:
CAS RN: 91933-11-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H44O9
MOLECULAR WEIGHT: 584.69706
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]4C[C@@H](O[C@H]5C[C@H](C(=C5[C@@]4([C@@H]3O)C)C)C6=COC=C6)O)C)C)OC(=O)C
Structure:
CAS RN: 79008-24-5
CAS Name: (5S,6E,8E,10Z,12S,14Z)-5,12,20-trihydroxyeicosa-6,8,10,14-tetraenoic acid
OPENEYE Name: (5S,6E,8E,10Z,12S,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
IUPAC Name: (5S,6E,8E,10Z,12S,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6E,8E,10Z,12S,14Z)-5,12,20-tris(oxidanyl)icosa-6,8,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: C(CC/C=C\C[C@@H](/C=C\C=C\C=C\[C@H](CCCC(=O)O)O)O)CCO
Structure:
CAS RN: 50648-94-7
CAS Name: (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CCC(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CC(C3=C)O)O)C
Structure:
CAS RN: 107610-19-5
CAS Name: 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]-1-pyridin-1-iumyl]-1-butanesulfonate
OPENEYE Name: 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
IUPAC Name: 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[4-[(1E,3E)-4-[4-(dipentylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C29H42N2O3S
MOLECULAR WEIGHT: 498.72038
SMILES: CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C=C/C2=CC=[N+](C=C2)CCCCS(=O)(=O)[O-]
Structure:
CAS RN: 4382-43-8
CAS Name: (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]-3,4-dihydro-2H-1-benzopyran-6-ol
OPENEYE Name: (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]chroman-6-ol
IUPAC Name: (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]-3,4-dihydrochromen-6-ol
SYSTEMATIC NAME: (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]-3,4-dihydrochromen-6-ol
MOLECULAR FORMULA: C53H82O2
MOLECULAR WEIGHT: 751.21698
SMILES: CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
Structure:
CAS RN: 150314-39-9
CAS Name: (5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)eicosa-5,8,11,14-tetraenamide
OPENEYE Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxy-1-methyl-ethyl)icosa-5,8,11,14-tetraenamide
IUPAC Name: (5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-N-(1-oxidanylpropan-2-yl)icosa-5,8,11,14-tetraenamide
MOLECULAR FORMULA: C23H39NO2
MOLECULAR WEIGHT: 361.56126
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)CO
Structure:
CAS RN: 87857-42-9
CAS Name: 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoic acid methyl ester; (E)-4-oxo-2-pentenoic acid
OPENEYE Name: methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]propyl]benzoate; (E)-4-oxopent-2-enoic acid
IUPAC Name: methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate; (E)-4-oxopent-2-enoic acid
SYSTEMATIC NAME: methyl 4-[(2S)-2-[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]propyl]benzoate; (E)-4-oxidanylidenepent-2-enoic acid
MOLECULAR FORMULA: C24H29NO6
MOLECULAR WEIGHT: 427.49016
SMILES: C[C@@H](CC1=CC=C(C=C1)C(=O)OC)NC[C@H](C2=CC=CC=C2)O.CC(=O)/C=C/C(=O)O
Structure:
CAS RN: 52665-74-4
CAS Name: (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
OPENEYE Name: (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-7-oxo-hepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-deca-2,4-dienamide
IUPAC Name: (2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E,6R)-2,4,6-trimethyl-N-[(1S,5S,6R)-5-oxidanyl-2-oxidanylidene-5-[(1E,3E,5E)-7-oxidanylidene-7-[(2-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)amino]hepta-1,3,5-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]deca-2,4-dienamide
MOLECULAR FORMULA: C31H38N2O7
MOLECULAR WEIGHT: 550.64262
SMILES: CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O
Structure:
CAS RN: 108212-75-5
CAS Name: 4-[[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioic acid S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R)-5-[[(2S,4S,5S)-5-(ethylamino)-4-methoxy-2-oxanyl]oxy]-4-hydroxy-6-[[(2S,5Z,9S,13E)-9-hydroxy-12-(me
OPENEYE Name: S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9S,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl
IUPAC Name: S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9S,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-meth
SYSTEMATIC NAME: S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxy-oxan-2-yl]oxy-6-[[(2S,5Z,9S,13E)-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-9-oxidanyl-11-oxidanylidene-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-me
MOLECULAR FORMULA: C55H74IN3O21S4
MOLECULAR WEIGHT: 1368.34803
SMILES: CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](OC2O[C@H]3C#C/C=C\C#C[C@]\4(CC(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC)O)I)C)O)O
Structure:
CAS RN: 37839-24-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H78N2O12
MOLECULAR WEIGHT: 959.21402
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCC(CC5)C(C6CCCCC6)C7CCCCC7)O)O)/C
Structure:
CAS RN: 157283-68-6
CAS Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C26H35F3O6
MOLECULAR WEIGHT: 500.54771
SMILES: CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
Structure:
CAS RN: 207742-69-6
CAS Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C26H35F3O6
MOLECULAR WEIGHT: 500.54771
SMILES: CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
Structure:
CAS RN: 97228-80-3
CAS Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodo-phenyl)propyl]amino]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[3-[[3-(3-iodanyl-4-oxidanyl-phenyl)-2-oxidanyl-propyl]amino]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C25H36INO4
MOLECULAR WEIGHT: 541.46211
SMILES: CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)C/C=C/CCCC(=O)O)C
Structure:
CAS RN: 32809-81-7
CAS Name: (E)-4-chloro-3-ethoxy-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-4-chloro-3-ethoxy-but-2-enoate
IUPAC Name: ethyl (E)-4-chloro-3-ethoxybut-2-enoate
SYSTEMATIC NAME: ethyl (E)-4-chloranyl-3-ethoxy-but-2-enoate
MOLECULAR FORMULA: C8H13ClO3
MOLECULAR WEIGHT: 192.64002
SMILES: CCO/C(=C/C(=O)OCC)/CCl
Structure:
CAS RN: 32797-50-5
CAS Name: acetic acid [(E)-hex-1-enyl] ester
OPENEYE Name: [(E)-hex-1-enyl] acetate
IUPAC Name: [(E)-hex-1-enyl] acetate
SYSTEMATIC NAME: [(E)-hex-1-enyl] ethanoate
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCCC/C=C/OC(=O)C
Structure:
CAS RN: 32764-98-0
CAS Name: 6-[(E)-pent-3-enyl]-2-oxanone
OPENEYE Name: 6-[(E)-pent-3-enyl]tetrahydropyran-2-one
IUPAC Name: 6-[(E)-pent-3-enyl]oxan-2-one
SYSTEMATIC NAME: 6-[(E)-pent-3-enyl]oxan-2-one
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: C/C=C/CCC1CCCC(=O)O1
Structure:
CAS RN: 32734-93-3
CAS Name: (E)-1-chloro-1-dodecene
OPENEYE Name: (E)-1-chlorododec-1-ene
IUPAC Name: (E)-1-chlorododec-1-ene
SYSTEMATIC NAME: (E)-1-chloranyldodec-1-ene
MOLECULAR FORMULA: C12H23Cl
MOLECULAR WEIGHT: 202.76402
SMILES: CCCCCCCCCC/C=C/Cl
Structure:
CAS RN: 32580-69-1
CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-isopropylphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)C(C)C
Structure:
CAS RN: 32569-21-4
CAS Name: (E)-2-butenedioic acid O1-(2-hydroxyethyl) ester O4-propan-2-yl ester
OPENEYE Name: O1-(2-hydroxyethyl) O4-isopropyl (E)-but-2-enedioate
IUPAC Name: 1-O-(2-hydroxyethyl) 4-O-propan-2-yl (E)-but-2-enedioate
SYSTEMATIC NAME: O1-(2-hydroxyethyl) O4-propan-2-yl (E)-but-2-enedioate
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC(C)OC(=O)/C=C/C(=O)OCCO
Structure:
CAS RN: 32449-36-8
CAS Name: (1E)-1-(1-ethyl-2-benzo[e][1,3]benzothiazolylidene)-N-(4-methylphenyl)-2-propanimine
OPENEYE Name: (1E)-1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-N-(p-tolyl)propan-2-imine
IUPAC Name: (1E)-1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-N-(4-methylphenyl)propan-2-imine
SYSTEMATIC NAME: (1E)-1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-N-(4-methylphenyl)propan-2-imine
MOLECULAR FORMULA: C23H22N2S
MOLECULAR WEIGHT: 358.49918
SMILES: CCN1/C(=C\C(=NC2=CC=C(C=C2)C)C)/SC3=C1C4=CC=CC=C4C=C3
Structure:
CAS RN: 32803-39-7
CAS Name: (4E)-2,5,9-trimethyldeca-4,9-dienal
OPENEYE Name: (4E)-2,5,9-trimethyldeca-4,9-dienal
IUPAC Name: (4E)-2,5,9-trimethyldeca-4,9-dienal
SYSTEMATIC NAME: (4E)-2,5,9-trimethyldeca-4,9-dienal
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC(C/C=C(\C)/CCCC(=C)C)C=O
Structure:
No comments:
Post a Comment