AC1MJ39H
butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410659|AG-690/36718062|SR-01000403473-1|butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate|butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,7,8-pentahydroqui noline-3-carboxylate
| Molecular Formula | C26H35NO6 |
|---|---|
| Molecular Weight | 457.24643 g/mol |
| LogP | 4.6597 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.24643 |
| Monoisotopic Mass | 457.24643 |
| Heavy Atoms | 33 |
| Complexity | 1004.27966 |
Chemical Identifiers
| CAS Number | 299945-95-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C |
Product Overview
AC1MJ39H (CAS 299945-95-2), with molecular formula C26H35NO6 and molecular weight 457.24643 g/mol. IUPAC: butyl 2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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