AC1LLXMV
ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
Also Known As: BAS 01255852|ethyl (4-{(1E)-2-cyano-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate|ethyl 2-(4-{(1E)-2-cyano-2-[N-(2-furylmethyl)carbamoyl]vinyl}-2-ethoxyphenoxy) acetate|(E)-ethyl 2-(4-(2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)-2-ethoxyphenoxy)acetate|ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.1478 g/mol |
| LogP | 2.84358 |
| Topological Polar Surface Area | 110.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.1478 |
| Monoisotopic Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 896.3903 |
Chemical Identifiers
| CAS Number | 358281-50-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OCC(=O)OCC |
Product Overview
AC1LLXMV (CAS 358281-50-2), with molecular formula C21H22N2O6 and molecular weight 398.1478 g/mol. IUPAC: ethyl 2-[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate.
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