AC1NKI95
methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate
Also Known As: methyl 2-(9-(3,4-dimethoxyphenethyl)-4-methyl-2-oxo-2,8,9,10-tetrahydrochromeno[8,7-e][1,3]oxazin-3-yl)acetate|methyl {9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate|methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate|METHYL 2-{9-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-4-METHYL-2-OXO-2H,8H,9H,10H-CHROMENO[8,7-E][1,3]OXAZIN-3-YL}ACETATE|methyl 2-{9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-8H,10H-chromeno[8,7- e]1,3-oxazaperhydroin-3-yl}acetate
| Molecular Formula | C25H27NO7 |
|---|---|
| Molecular Weight | 453.17874 g/mol |
| LogP | 3.22872 |
| Topological Polar Surface Area | 87.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.17874 |
| Monoisotopic Mass | 453.17874 |
| Heavy Atoms | 33 |
| Complexity | 1247.7145 |
Chemical Identifiers
| CAS Number | 853893-76-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC3=C2CN(CO3)CCC4=CC(=C(C=C4)OC)OC)CC(=O)OC |
Product Overview
AC1NKI95 (CAS 853893-76-2), with molecular formula C25H27NO7 and molecular weight 453.17874 g/mol. IUPAC: methyl 2-[9-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]acetate.
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