CAS RN: 99390-77-9
CAS Name: (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline; 3-pyridinecarboxylic acid; hydrochloride
OPENEYE Name: (3E)-3-[(3,4-diethoxyphenyl)methylene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline; nicotinic acid; hydrochloride
IUPAC Name: (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline; pyridine-3-carboxylic acid; hydrochloride
SYSTEMATIC NAME: (3E)-3-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-2,4-dihydro-1H-isoquinoline; pyridine-3-carboxylic acid; hydrochloride
MOLECULAR FORMULA: C30H37ClN2O6
MOLECULAR WEIGHT: 557.07758
SMILES: CCOC1=C(C=C(C=C1)/C=C/2\CC3=CC(=C(C=C3CN2)OCC)OCC)OCC.C1=CC(=CN=C1)C(=O)O.Cl
Structure:
CAS RN: 99316-85-5
CAS Name: disodium 3-oxo-3-[2-[5-[(Z)-(5-oxo-2-pyrrolylidene)methyl]-2-[[5-[(E)-(5-oxo-2-pyrrolylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]-1-propanesulfonic acid
OPENEYE Name: disodium 3-oxo-3-[2-[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(5-oxopyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid
IUPAC Name: disodium 3-oxo-3-[2-[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(E)-(5-oxopyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid
SYSTEMATIC NAME: disodium 3-oxidanylidene-3-[2-[5-[(Z)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-2-[[5-[(E)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid
MOLECULAR FORMULA: C29H34N6Na2O10S2+2
MOLECULAR WEIGHT: 736.724
SMILES: C\1=CC(=O)N/C1=C/C2=CC(=C(N2)CC3=C(C=C(N3)/C=C\4/C=CC(=O)N4)CCNC(=O)CCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O.[Na+].[Na+]
Structure:
CAS RN: 148408-16-6
CAS Name: (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenal
OPENEYE Name: (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenal
IUPAC Name: (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenal
SYSTEMATIC NAME: (9Z,11Z,13E,15E)-octadeca-9,11,13,15-tetraenal
MOLECULAR FORMULA: C18H28O
MOLECULAR WEIGHT: 260.41432
SMILES: CC/C=C/C=C/C=C\C=C/CCCCCCCC=O
Structure:
CAS RN: 99296-82-9
CAS Name: [(2R)-2-[(4E,7Z,10E,13E,16E,19E)-1-oxodocosa-4,7,10,13,16,19-hexaenoxy]-3-[(E)-1-oxooctadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2-[(4E,7Z,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-octadec-9-enoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C48H82NO8P
MOLECULAR WEIGHT: 832.140341
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C/C/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CC
Structure:
CAS RN: 99286-22-3
CAS Name: (7E)-7-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]heptanoic acid
OPENEYE Name: (7E)-7-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]heptanoic acid
IUPAC Name: (7E)-7-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]heptanoic acid
SYSTEMATIC NAME: (7E)-7-[(3aR,4R,5R,6aS)-5-oxidanyl-4-[(E,3S)-3-oxidanyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]heptanoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCCCC(=O)O)/O2)O)O
Structure:
CAS RN: 99267-41-1
CAS Name: (17E)-15-hydroxy-2-[(1E,7Z)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone
OPENEYE Name: (17E)-15-hydroxy-2-[(1E,7Z)-6-hydroxy-3,7-dimethyl-deca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone
IUPAC Name: (17E)-15-hydroxy-2-[(1E,7Z)-6-hydroxy-3,7-dimethyldeca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone
SYSTEMATIC NAME: (17E)-2-[(1E,7Z)-3,7-dimethyl-6-oxidanyl-deca-1,7,9-trienyl]-5,10,14,16,18-pentamethyl-15-oxidanyl-1-oxa-9-azacyclononadec-17-ene-6,8,13,19-tetrone
MOLECULAR FORMULA: C34H53NO7
MOLECULAR WEIGHT: 587.78712
SMILES: CC1CCC(OC(=O)/C(=C/C(C(C(C(=O)CCC(NC(=O)CC1=O)C)C)O)C)/C)/C=C/C(C)CCC(/C(=C\C=C)/C)O
Structure:
CAS RN: 99260-73-8
CAS Name: (E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[[5-[[[[3-(carbamoylamino)-4,5-dihydroxy-2-oxanyl]amino]-oxomethyl]amino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyl-2-oxanyl]oxy]phenyl]-2-propenamide
OPENEYE Name: (E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[(4,5-dihydroxy-3-ureido-tetrahydropyran-2-yl)carbamoylamino]-3-guanidino-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enamide
IUPAC Name: (E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-4,5-dihydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[4-[5-[[3-(aminocarbonylamino)-4,5-bis(oxidanyl)oxan-2-yl]carbamoylamino]-3-[bis(azanyl)methylideneamino]-6-methyl-4-oxidanyl-oxan-2-yl]oxyphenyl]-N-[3-(4-azanylbutylamino)propyl]prop-2-enamide
MOLECULAR FORMULA: C30H50N10O9
MOLECULAR WEIGHT: 694.7796
SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)O)O)NC(=O)N
Structure:
CAS RN: 99217-68-2
CAS Name: (E)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]-1-[5-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C20H20O5
MOLECULAR WEIGHT: 340.3698
SMILES: CC(=CCC1=C(C=C(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)C
Structure:
CAS RN: 99134-29-9
CAS Name: 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydrobenzofuran-5-ol
OPENEYE Name: 6-[(E)-3-[2-(hydroxymethyl)phenyl]allyl]-2,3-dihydrobenzofuran-5-ol
IUPAC Name: 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol
SYSTEMATIC NAME: 6-[(E)-3-[2-(hydroxymethyl)phenyl]prop-2-enyl]-2,3-dihydro-1-benzofuran-5-ol
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: C1COC2=CC(=C(C=C21)O)C/C=C/C3=CC=CC=C3CO
Structure:
CAS RN: 99128-95-7
CAS Name: (Z)-3-cyano-3-phosphonooxy-2-propenoic acid
OPENEYE Name: (Z)-3-cyano-3-phosphonooxy-prop-2-enoic acid
IUPAC Name: (Z)-3-cyano-3-phosphonooxyprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-cyano-3-phosphonooxy-prop-2-enoic acid
MOLECULAR FORMULA: C4H4NO6P
MOLECULAR WEIGHT: 193.051421
SMILES: C(=C(/C#N)\OP(=O)(O)O)\C(=O)O
Structure:
CAS RN: 99124-74-0
CAS Name: (2S)-2-acetamido-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-acetamido-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
IUPAC Name: (2S)-2-acetamido-6-[[(E)-3-oxoprop-1-enyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-acetamido-6-[[(E)-3-oxidanylideneprop-1-enyl]amino]hexanoic acid
MOLECULAR FORMULA: C11H18N2O4
MOLECULAR WEIGHT: 242.27162
SMILES: CC(=O)N[C@@H](CCCCN/C=C/C=O)C(=O)O
Structure:
CAS RN: 99112-26-2
CAS Name: (E,6E)-2-methyl-6-(4-methyl-1-cyclohex-3-enylidene)-2-hepten-1-ol
OPENEYE Name: (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
IUPAC Name: (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
SYSTEMATIC NAME: (E,6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-1-ol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC1=CC/C(=C(\C)/CC/C=C(\C)/CO)/CC1
Structure:
CAS RN: 99103-20-5
CAS Name: [(6E,10Z,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-6,10,14,18,22,26,30,34,38-nonaenyl] dihydrogen phosphate
OPENEYE Name: [(6E,10Z,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-6,10,14,18,22,26,30,34,38-nonaenyl] dihydrogen phosphate
IUPAC Name: [(6E,10Z,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-6,10,14,18,22,26,30,34,38-nonaenyl] dihydrogen phosphate
SYSTEMATIC NAME: [(6E,10Z,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-6,10,14,18,22,26,30,34,38-nonaenyl] dihydrogen phosphate
MOLECULAR FORMULA: C50H85O4P
MOLECULAR WEIGHT: 781.181261
SMILES: CC(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)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O
Structure:
CAS RN: 99083-11-1
CAS Name: (2E,4E)-6-(5-bromo-2-naphthalenyl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
OPENEYE Name: (2E,4E)-6-(5-bromo-2-naphthyl)-N-(1,2-dimethylpropyl)hexa-2,4-dienamide
IUPAC Name: (2E,4E)-6-(5-bromonaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-6-(5-bromanylnaphthalen-2-yl)-N-(3-methylbutan-2-yl)hexa-2,4-dienamide
MOLECULAR FORMULA: C21H24BrNO
MOLECULAR WEIGHT: 386.32536
SMILES: CC(C)C(C)NC(=O)/C=C/C=C/CC1=CC2=C(C=C1)C(=CC=C2)Br
Structure:
CAS RN: 99046-40-9
CAS Name: 4-[(E)-[5-methoxy-3-(2-methoxyethyl)-2-methyl-1-indenylidene]methyl]benzenesulfonamide
OPENEYE Name: 4-[(E)-[5-methoxy-3-(2-methoxyethyl)-2-methyl-inden-1-ylidene]methyl]benzenesulfonamide
IUPAC Name: 4-[(E)-[5-methoxy-3-(2-methoxyethyl)-2-methylinden-1-ylidene]methyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[(E)-[5-methoxy-3-(2-methoxyethyl)-2-methyl-inden-1-ylidene]methyl]benzenesulfonamide
MOLECULAR FORMULA: C21H23NO4S
MOLECULAR WEIGHT: 385.47662
SMILES: CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)N)C=CC(=C2)OC)CCOC
Structure:
CAS RN: 98930-79-1
CAS Name: (E)-N-[1-hydroxy-3-(4-hydroxyphenyl)sulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenamide
OPENEYE Name: (E)-N-[1-(hydroxymethyl)-2-(4-hydroxyphenyl)sulfinyl-ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
IUPAC Name: (E)-N-[1-hydroxy-3-(4-hydroxyphenyl)sulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[1-(4-hydroxyphenyl)sulfinyl-3-oxidanyl-propan-2-yl]-3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]prop-2-enamide
MOLECULAR FORMULA: C17H19N3O6S
MOLECULAR WEIGHT: 393.41426
SMILES: CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 98893-66-4
CAS Name: (5E,8E,11E)-13-[(3S)-3-pentyl-2-thiiranyl]trideca-5,8,11-trienoic acid
OPENEYE Name: (5E,8E,11E)-13-[(3S)-3-pentylthiiran-2-yl]trideca-5,8,11-trienoic acid
IUPAC Name: (5E,8E,11E)-13-[(3S)-3-pentylthiiran-2-yl]trideca-5,8,11-trienoic acid
SYSTEMATIC NAME: (5E,8E,11E)-13-[(3S)-3-pentylthiiran-2-yl]trideca-5,8,11-trienoic acid
MOLECULAR FORMULA: C20H32O2S
MOLECULAR WEIGHT: 336.53188
SMILES: CCCCC[C@H]1C(S1)C/C=C/C/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 98873-82-6
CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]propanoic acid [(4E,10Z,12E,14E)-6,24-dihydroxy-16,22-dimethoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] ester
OPENEYE Name: [(4E,10Z,12E,14E)-6,24-dihydroxy-16,22-dimethoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate
IUPAC Name: [(4E,10Z,12E,14E)-6,24-dihydroxy-16,22-dimethoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate
SYSTEMATIC NAME: [(4E,10Z,12E,14E)-16,22-dimethoxy-5,7-dimethyl-6,24-bis(oxidanyl)-18-oxidanylidene-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] 2-(cyclohexylcarbonylamino)propanoate
MOLECULAR FORMULA: C37H52N2O8
MOLECULAR WEIGHT: 652.81738
SMILES: CC1C(C/C=C\C=C\C=C\C(CC(=O)NC2=C(C(=CC(=C2)OC)CC/C=C(/C1O)\C)O)OC)OC(=O)C(C)NC(=O)C3CCCCC3
Structure:
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