CAS RN: 59138-61-3
CAS Name: 4-aminobenzoic acid (4-benzoyloxyphenyl) ester
OPENEYE Name: (4-benzoyloxyphenyl) 4-aminobenzoate
IUPAC Name: (4-benzoyloxyphenyl) 4-aminobenzoate
SYSTEMATIC NAME: [4-(phenylcarbonyloxy)phenyl] 4-azanylbenzoate
MOLECULAR FORMULA: C20H15NO4
MOLECULAR WEIGHT: 333.3374
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 59138-54-4
CAS Name: 4-nitrobenzoic acid [4-[(4-hexoxyphenyl)-oxomethoxy]phenyl] ester
OPENEYE Name: [4-(4-hexoxybenzoyl)oxyphenyl] 4-nitrobenzoate
IUPAC Name: [4-(4-hexoxybenzoyl)oxyphenyl] 4-nitrobenzoate
SYSTEMATIC NAME: [4-(4-hexoxyphenyl)carbonyloxyphenyl] 4-nitrobenzoate
MOLECULAR FORMULA: C26H25NO7
MOLECULAR WEIGHT: 463.4792
SMILES: CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60467-13-2
CAS Name: 5-quinolino[5,6-f]quinolinamine
OPENEYE Name: quinolino[5,6-f]quinolin-5-amine
IUPAC Name: quinolino[5,6-f]quinolin-5-amine
SYSTEMATIC NAME: quinolino[5,6-f]quinolin-5-amine
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC2=C(C=CC3=CC(=C4C(=C32)C=CC=N4)N)N=C1
Structure:
CAS RN: 60467-11-0
CAS Name: 6-quinolino[7,8-f]quinolinamine
OPENEYE Name: quinolino[7,8-f]quinolin-6-amine
IUPAC Name: quinolino[7,8-f]quinolin-6-amine
SYSTEMATIC NAME: quinolino[7,8-f]quinolin-6-amine
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC2=C(C=CC3=C4C(=C(C=C23)N)C=CC=N4)N=C1
Structure:
CAS RN: 60189-88-0
CAS Name: 2-(8-amino-1-imidazo[4,5-g]quinazolinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(8-aminoimidazo[4,5-g]quinazolin-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(8-aminoimidazo[4,5-g]quinazolin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(8-azanylimidazo[4,5-g]quinazolin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H15N5O4
MOLECULAR WEIGHT: 317.3
SMILES: C1=C2C(=CC3=C1N(C=N3)C4C(C(C(O4)CO)O)O)N=CN=C2N
Structure:
CAS RN: 64855-00-1
CAS Name: 4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone
OPENEYE Name: 4-[[4-hydroxy-3-[2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)ethyl]-5-methoxy-phenyl]methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: 4-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: 4-[[3-methoxy-5-[1-(3-methoxy-4-oxidanyl-phenyl)-1,3-bis(oxidanyl)propan-2-yl]-4-oxidanyl-phenyl]methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C30H34O10
MOLECULAR WEIGHT: 554.58496
SMILES: COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)CC3COC(=O)C3CC4=CC(=C(C=C4)O)OC
Structure:
CAS RN: 62359-60-8
CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]methyl]-2-oxolanone
OPENEYE Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]methyl]tetrahydrofuran-2-one
IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
SYSTEMATIC NAME: 4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
MOLECULAR FORMULA: C31H34O9
MOLECULAR WEIGHT: 550.59626
SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C4C(=C3)C(C(O4)C5=CC(=C(C=C5)O)OC)CO)OC)OC
Structure:
CAS RN: 62333-08-8
CAS Name: 4-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone
OPENEYE Name: 4-[[2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: 4-[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: 4-[[3-(hydroxymethyl)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C30H32O9
MOLECULAR WEIGHT: 536.56968
SMILES: COC1=C(C=CC(=C1)CC2C(COC2=O)CC3=CC(=C4C(=C3)C(C(O4)C5=CC(=C(C=C5)O)OC)CO)OC)O
Structure:
CAS RN: 33985-27-2
CAS Name: acetic acid (3,6-diacetyloxy-2-methyl-4-oxanyl) ester
OPENEYE Name: (3,6-diacetoxy-2-methyl-tetrahydropyran-4-yl) acetate
IUPAC Name: (3,6-diacetyloxy-2-methyloxan-4-yl) acetate
SYSTEMATIC NAME: (3,6-diacetyloxy-2-methyl-oxan-4-yl) ethanoate
MOLECULAR FORMULA: C12H18O7
MOLECULAR WEIGHT: 274.26712
SMILES: CC1C(C(CC(O1)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 67335-77-7
CAS Name: acetic acid (3,6-diacetyloxy-2-methyl-4-oxanyl) ester
OPENEYE Name: (3,6-diacetoxy-2-methyl-tetrahydropyran-4-yl) acetate
IUPAC Name: (3,6-diacetyloxy-2-methyloxan-4-yl) acetate
SYSTEMATIC NAME: (3,6-diacetyloxy-2-methyl-oxan-4-yl) ethanoate
MOLECULAR FORMULA: C12H18O7
MOLECULAR WEIGHT: 274.26712
SMILES: CC1C(C(CC(O1)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 69975-45-7
CAS Name: 4-acetamido-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylic acid methyl ester
OPENEYE Name: methyl 4-acetamido-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
IUPAC Name: methyl 4-acetamido-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
SYSTEMATIC NAME: methyl 4-acetamido-2-methoxy-3,4-dihydro-2H-pyran-6-carboxylate
MOLECULAR FORMULA: C10H15NO5
MOLECULAR WEIGHT: 229.2298
SMILES: CC(=O)NC1CC(OC(=C1)C(=O)OC)OC
Structure:
CAS RN: 64519-41-1
CAS Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyl-4-oxanyl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyl-tetrahydropyran-4-yl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-(6-methoxy-2-methyl-3-oxidanyl-oxan-4-yl)ethanamide
MOLECULAR FORMULA: C9H14F3NO4
MOLECULAR WEIGHT: 257.20697
SMILES: CC1C(C(CC(O1)OC)NC(=O)C(F)(F)F)O
Structure:
CAS RN: 72402-69-8
CAS Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyl-4-oxanyl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyl-tetrahydropyran-4-yl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(3-hydroxy-6-methoxy-2-methyloxan-4-yl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-(6-methoxy-2-methyl-3-oxidanyl-oxan-4-yl)ethanamide
MOLECULAR FORMULA: C9H14F3NO4
MOLECULAR WEIGHT: 257.20697
SMILES: CC1C(C(CC(O1)OC)NC(=O)C(F)(F)F)O
Structure:
CAS RN: 18933-67-0
CAS Name: benzoic acid [3-benzoyloxy-2-(bromomethyl)-6-methoxy-4-oxanyl] ester
OPENEYE Name: [3-benzoyloxy-2-(bromomethyl)-6-methoxy-tetrahydropyran-4-yl] benzoate
IUPAC Name: [3-benzoyloxy-2-(bromomethyl)-6-methoxyoxan-4-yl] benzoate
SYSTEMATIC NAME: [2-(bromomethyl)-6-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate
MOLECULAR FORMULA: C21H21BrO6
MOLECULAR WEIGHT: 449.29184
SMILES: COC1CC(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 32469-89-9
CAS Name: benzoic acid (6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) ester
OPENEYE Name: (6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
IUPAC Name: (6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
SYSTEMATIC NAME: (6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzoate
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: COC1CC(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 61199-77-7
CAS Name: 3,6-dimethoxy-2-methyl-4-oxanone
OPENEYE Name: 3,6-dimethoxy-2-methyl-tetrahydropyran-4-one
IUPAC Name: 3,6-dimethoxy-2-methyloxan-4-one
SYSTEMATIC NAME: 3,6-dimethoxy-2-methyl-oxan-4-one
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC1C(C(=O)CC(O1)OC)OC
Structure:
CAS RN: 5987-33-7
CAS Name: 2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
OPENEYE Name: 2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
IUPAC Name: 2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
SYSTEMATIC NAME: 2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: C1C2C(C(C=CO2)O)OC(O1)C3=CC=CC=C3
Structure:
CAS RN: 6087-41-8
CAS Name: acetic acid (3,4-diacetyloxy-6-methoxy-2-oxanyl)methyl ester
OPENEYE Name: (3,4-diacetoxy-6-methoxy-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4-diacetyloxy-6-methoxy-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C13H20O8
MOLECULAR WEIGHT: 304.2931
SMILES: CC(=O)OCC1C(C(CC(O1)OC)OC(=O)C)OC(=O)C
Structure:
CAS RN: 57160-48-2
CAS Name: N-[(4-chloroanilino)-oxomethyl]-2-fluorobenzamide
OPENEYE Name: N-[(4-chlorophenyl)carbamoyl]-2-fluoro-benzamide
IUPAC Name: N-[(4-chlorophenyl)carbamoyl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamoyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C14H10ClFN2O2
MOLECULAR WEIGHT: 292.692803
SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F
Structure:
CAS RN: 88011-76-1
CAS Name: 2-fluoro-N-[oxo-[4-(trifluoromethyl)anilino]methyl]benzamide
OPENEYE Name: 2-fluoro-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
IUPAC Name: 2-fluoro-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
MOLECULAR FORMULA: C15H10F4N2O2
MOLECULAR WEIGHT: 326.245713
SMILES: C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)C(F)(F)F)F
Structure:
CAS RN: 736-45-8
CAS Name: N-[(4-chloroanilino)-oxomethyl]-2,2,3,3,3-pentafluoropropanamide
OPENEYE Name: N-[(4-chlorophenyl)carbamoyl]-2,2,3,3,3-pentafluoro-propanamide
IUPAC Name: N-[(4-chlorophenyl)carbamoyl]-2,2,3,3,3-pentafluoropropanamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamoyl]-2,2,3,3,3-pentakis(fluoranyl)propanamide
MOLECULAR FORMULA: C10H6ClF5N2O2
MOLECULAR WEIGHT: 316.611856
SMILES: C1=CC(=CC=C1NC(=O)NC(=O)C(C(F)(F)F)(F)F)Cl
Structure:
CAS RN: 91813-98-8
CAS Name: 2-amino-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-amino-3,5,6-trichloro-1,4-benzoquinone
IUPAC Name: 2-amino-3,5,6-trichlorocyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3,5,6-tris(chloranyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C6H2Cl3NO2
MOLECULAR WEIGHT: 226.44458
SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)N
Structure:
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