AC1N3OME
methyl 4-[[2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
Also Known As: Oprea1_837428|SR-01000568967-1|F0535-0863|methyl 4-((2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate|methyl 4-{[2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate|methyl 4-[[2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
| Molecular Formula | C27H25ClN2O8 |
|---|---|
| Molecular Weight | 540.12994 g/mol |
| LogP | 4.8706 |
| Topological Polar Surface Area | 117.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.12994 |
| Monoisotopic Mass | 540.12994 |
| Heavy Atoms | 38 |
| Complexity | 1376.2357 |
Chemical Identifiers
| CAS Number | 486452-91-9 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)COC4=CC=C(C=C4)C(=O)OC)OC |
Product Overview
AC1N3OME (CAS 486452-91-9), with molecular formula C27H25ClN2O8 and molecular weight 540.12994 g/mol. IUPAC: methyl 4-[[2-(2-chloro-5-nitrobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate.
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