CAS RN: 41776-63-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H52N2O13
MOLECULAR WEIGHT: 780.85718
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCC=C)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 41776-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H56N2O13
MOLECULAR WEIGHT: 808.91034
SMILES: CCC(=C)CON/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 41776-57-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N2O13
MOLECULAR WEIGHT: 838.97938
SMILES: CCCCCCCON/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 41734-50-3
CAS Name: (2Z)-2-(1-indenylidene)-N,N-dimethylethanamine
OPENEYE Name: (2Z)-2-inden-1-ylidene-N,N-dimethyl-ethanamine
IUPAC Name: (2Z)-2-inden-1-ylidene-N,N-dimethylethanamine
SYSTEMATIC NAME: (2Z)-2-inden-1-ylidene-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CN(C)C/C=C\1/C=CC2=CC=CC=C21
Structure:
CAS RN: 41640-36-2
CAS Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[3-oxidanyl-5-oxidanylidene-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: C1C(C(C(C1=O)CCCCCCC(=O)O)/C=C/C(CCC2=CC=CC=C2)O)O
Structure:
CAS RN: 155270-98-7
CAS Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
OPENEYE Name: 8-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione
IUPAC Name: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 120373-36-6
CAS Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O
Structure:
CAS RN: 105674-77-9
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]vinyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E)-2-[2-[(3-chloranylphenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H31ClO7
MOLECULAR WEIGHT: 466.95174
SMILES: C1COC(O1)(COC2=CC(=CC=C2)Cl)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 151581-24-7
CAS Name: 7-[[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid
OPENEYE Name: 7-[(1S,2E,4Z)-9-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]nona-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid
IUPAC Name: 7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
SYSTEMATIC NAME: 7-[(2S,3E,5Z)-10-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid
MOLECULAR FORMULA: C38H37F3O8S
MOLECULAR WEIGHT: 710.75579
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC/C=C\C=C\[C@@H](C(C2=CC(=CC=C2)C(F)(F)F)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O
Structure:
CAS RN: 622402-70-4
CAS Name: (Z)-2-butenedioic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione; hydrochloride
OPENEYE Name: 3-(diaminomethylene)-1,1-dimethyl-guanidine; maleic acid; 5-[[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione; hydrochloride
IUPAC Name: (Z)-but-2-enedioic acid; 3-(diaminomethylidene)-1,1-dimethylguanidine; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; hydrochloride
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; (Z)-but-2-enedioic acid; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione; hydrochloride
MOLECULAR FORMULA: C26H35ClN8O7S
MOLECULAR WEIGHT: 639.1235
SMILES: CN(C)C(=N)N=C(N)N.CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=C\C(=O)O)\C(=O)O.Cl
Structure:
CAS RN: 227619-96-7
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)-1-indenyl]-N-(phenylmethyl)acetamide hydrochloride
OPENEYE Name: N-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(4-pyridylmethylene)inden-1-yl]acetamide hydrochloride
IUPAC Name: N-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide hydrochloride
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]-N-(phenylmethyl)ethanamide hydrochloride
MOLECULAR FORMULA: C25H22ClFN2O
MOLECULAR WEIGHT: 420.906383
SMILES: CC\1=C(C2=C(/C1=C\C3=CC=NC=C3)C=CC(=C2)F)CC(=O)NCC4=CC=CC=C4.Cl
Structure:
CAS RN: 279238-68-5
CAS Name: 2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)-1-indenyl]-N-(phenylmethyl)acetamide hydrochloride
OPENEYE Name: N-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(4-pyridylmethylene)inden-1-yl]acetamide hydrochloride
IUPAC Name: N-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide hydrochloride
SYSTEMATIC NAME: 2-[(3Z)-6-fluoranyl-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]-N-(phenylmethyl)ethanamide hydrochloride
MOLECULAR FORMULA: C25H22ClFN2O
MOLECULAR WEIGHT: 420.906383
SMILES: CC\1=C(C2=C(/C1=C\C3=CC=NC=C3)C=CC(=C2)F)CC(=O)NCC4=CC=CC=C4.Cl
Structure:
CAS RN: 94232-46-9
CAS Name: lanthanum(3+); (Z)-9-octadecenoate
OPENEYE Name: lanthanum(3+); (Z)-octadec-9-enoate
IUPAC Name: lanthanum(3+); (Z)-octadec-9-enoate
SYSTEMATIC NAME: lanthanum(3+); (Z)-octadec-9-enoate
MOLECULAR FORMULA: C54H99LaO6
MOLECULAR WEIGHT: 983.26576
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[La+3]
Structure:
CAS RN: 94232-48-1
CAS Name: (E)-2-butenedioate; lanthanum(3+)
OPENEYE Name: (E)-but-2-enedioate; lanthanum(3+)
IUPAC Name: (E)-but-2-enedioate; lanthanum(3+)
SYSTEMATIC NAME: (E)-but-2-enedioate; lanthanum(3+)
MOLECULAR FORMULA: C12H6La2O12
MOLECULAR WEIGHT: 619.97984
SMILES: C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].[La+3].[La+3]
Structure:
CAS RN: 41534-95-6
CAS Name: N-[4-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-[5-oxo-1-(p-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl]ethanamide
MOLECULAR FORMULA: C19H17N3O2S
MOLECULAR WEIGHT: 351.42218
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)NC(=O)C)/NC2=S
Structure:
CAS RN: 41534-93-4
CAS Name: N-[3-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]phenyl]acetamide
OPENEYE Name: N-[3-[(E)-[5-oxo-1-(p-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]phenyl]acetamide
IUPAC Name: N-[3-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[(E)-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]phenyl]ethanamide
MOLECULAR FORMULA: C19H17N3O2S
MOLECULAR WEIGHT: 351.42218
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)NC(=O)C)/NC2=S
Structure:
CAS RN: 41534-89-8
CAS Name: (5Z)-5-[(3,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(3,4-dimethylphenyl)methylene]-3-(p-tolyl)-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(3,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C19H18N2OS
MOLECULAR WEIGHT: 322.42402
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)C)C)/NC2=S
Structure:
CAS RN: 41534-87-6
CAS Name: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(2,4-dimethylphenyl)methylene]-3-(p-tolyl)-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-(4-methylphenyl)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C19H18N2OS
MOLECULAR WEIGHT: 322.42402
SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C=C3)C)C)/NC2=S
Structure:
CAS RN: 41534-86-5
CAS Name: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-phenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(2,4-dimethylphenyl)methylene]-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(2,4-dimethylphenyl)methylidene]-3-phenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C18H16N2OS
MOLECULAR WEIGHT: 308.39744
SMILES: CC1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3)C
Structure:
CAS RN: 41427-34-3
CAS Name: 5-amino-2-[(E)-2-phenylethenyl]benzonitrile
OPENEYE Name: 5-amino-2-[(E)-styryl]benzonitrile
IUPAC Name: 5-amino-2-[(E)-2-phenylethenyl]benzonitrile
SYSTEMATIC NAME: 5-azanyl-2-[(E)-2-phenylethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H12N2
MOLECULAR WEIGHT: 220.26918
SMILES: C1=CC=C(C=C1)/C=C/C2=C(C=C(C=C2)N)C#N
Structure:
CAS RN: 41414-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H26O2
MOLECULAR WEIGHT: 262.38714
SMILES: C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/COC(=O)C
Structure:
CAS RN: 41226-50-0
CAS Name: (E)-1-[6-[2-(1-azepanyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(3-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C27H31NO6
MOLECULAR WEIGHT: 465.53814
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)/C=C/C4=CC(=CC=C4)O
Structure:
CAS RN: 41226-49-7
CAS Name: (E)-1-[6-[2-(1-azepanyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(2-hydroxyphenyl)-2-propen-1-one hydrochloride
OPENEYE Name: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one hydrochloride
IUPAC Name: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one hydrochloride
SYSTEMATIC NAME: (E)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one hydrochloride
MOLECULAR FORMULA: C27H32ClNO6
MOLECULAR WEIGHT: 501.99908
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)/C=C/C4=CC=CC=C4O.Cl
Structure:
CAS RN: 41226-42-0
CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(4-morpholinyl)ethoxy]-5-benzofuranyl]-3-(2-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4,7-dimethoxy-6-(2-morpholinoethoxy)benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4,7-dimethoxy-6-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C25H27NO7
MOLECULAR WEIGHT: 453.48438
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCOCC3)C(=O)/C=C/C4=CC=CC=C4O
Structure:
CAS RN: 41226-40-8
CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranyl]-3-(3-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C25H27NO6
MOLECULAR WEIGHT: 437.48498
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC(=CC=C4)O
Structure:
CAS RN: 41226-39-5
CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranyl]-3-(2-hydroxyphenyl)-2-propen-1-one; oxalic acid
OPENEYE Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one; oxalic acid
IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one; oxalic acid
SYSTEMATIC NAME: (E)-1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(2-hydroxyphenyl)prop-2-en-1-one; ethanedioic acid
MOLECULAR FORMULA: C27H29NO10
MOLECULAR WEIGHT: 527.51986
SMILES: COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCC3)C(=O)/C=C/C4=CC=CC=C4O.C(=O)(C(=O)O)O
Structure:
CAS RN: 41226-12-4
CAS Name: (E)-2-butenedioic acid; (Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; (Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (Z)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C27H29NO10
MOLECULAR WEIGHT: 527.51986
SMILES: CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C\C3=CC=C(C=C3)O)OC)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 41226-10-2
CAS Name: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one; oxalic acid
OPENEYE Name: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; oxalic acid
IUPAC Name: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; oxalic acid
SYSTEMATIC NAME: (E)-1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; ethanedioic acid
MOLECULAR FORMULA: C28H33NO12
MOLECULAR WEIGHT: 575.56112
SMILES: CN(C)CCOC1=C(C2=C(C=CO2)C(=C1C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O
Structure:
CAS RN: 41169-10-2
CAS Name: 2-[(E)-1-carboxy-2-phenylethenyl]benzoic acid
OPENEYE Name: 2-[(E)-1-carboxy-2-phenyl-vinyl]benzoic acid
IUPAC Name: 2-[(E)-1-carboxy-2-phenylethenyl]benzoic acid
SYSTEMATIC NAME: 2-[(E)-3-oxidanyl-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]benzoic acid
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2C(=O)O)/C(=O)O
Structure:
CAS RN: 41169-08-8
CAS Name: 2-[(E)-1-carboxy-2-(2-chlorophenyl)ethenyl]benzoic acid
OPENEYE Name: 2-[(E)-1-carboxy-2-(2-chlorophenyl)vinyl]benzoic acid
IUPAC Name: 2-[(E)-1-carboxy-2-(2-chlorophenyl)ethenyl]benzoic acid
SYSTEMATIC NAME: 2-[(E)-1-(2-chlorophenyl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid
MOLECULAR FORMULA: C16H11ClO4
MOLECULAR WEIGHT: 302.70914
SMILES: C1=CC=C(C(=C1)/C=C(\C2=CC=CC=C2C(=O)O)/C(=O)O)Cl
Structure:
CAS RN: 41148-45-2
CAS Name: 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one; (E)-4,4-dihydroxy-2-butenoic acid
OPENEYE Name: 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one; (E)-4,4-dihydroxybut-2-enoic acid
IUPAC Name: 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one; (E)-4,4-dihydroxybut-2-enoic acid
SYSTEMATIC NAME: (E)-4,4-bis(oxidanyl)but-2-enoic acid; 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one
MOLECULAR FORMULA: C22H33N3O7
MOLECULAR WEIGHT: 451.51332
SMILES: CCN(CC)CCN1C(=O)CC2=CC(=C(C=C2C(=N1)C)OC)OC.C(=C/C(=O)O)\C(O)O
Structure:
CAS RN: 40731-59-7
CAS Name: phosphoric acid [(E)-2-chloro-1-phenylethenyl] diethyl ester
OPENEYE Name: [(E)-2-chloro-1-phenyl-vinyl] diethyl phosphate
IUPAC Name: [(E)-2-chloro-1-phenylethenyl] diethyl phosphate
SYSTEMATIC NAME: [(E)-2-chloranyl-1-phenyl-ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H16ClO4P
MOLECULAR WEIGHT: 290.679801
SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=CC=CC=C1
Structure:
CAS RN: 40681-09-2
CAS Name: (E)-1-[4,7-dimethoxy-6-[2-(1-piperidinyl)ethoxy]-5-benzofuranyl]-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4,7-dimethoxy-6-[2-(1-piperidyl)ethoxy]benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C27H31NO6
MOLECULAR WEIGHT: 465.53814
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C3=C(C(=C2OCCN4CCCCC4)OC)OC=C3)OC
Structure:
CAS RN: 40542-68-5
CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydrothiazole
OPENEYE Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-4,5-dihydrothiazole
IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C12H13NOS
MOLECULAR WEIGHT: 219.30272
SMILES: COC1=CC=C(C=C1)/C=C/C2=NCCS2
Structure:
CAS RN: 40536-40-1
CAS Name:
OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H41N3O11
MOLECULAR WEIGHT: 679.71354
SMILES: CCCNC(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 40536-39-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H45N3O11
MOLECULAR WEIGHT: 719.7774
SMILES: C1CCN(CCC1)C(=O)CN2CCN(CC2)CC3OC4(OC3)C5=CC=CC=C5C=CC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
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