AC1MJ3GK
benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_219361|Oprea1_534416|BAS 00410938|AG-690/10379047|benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|SR-01000403661-1|benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|phenylmethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C28H31NO5 |
|---|---|
| Molecular Weight | 461.2202 g/mol |
| LogP | 5.0512 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.2202 |
| Monoisotopic Mass | 461.2202 |
| Heavy Atoms | 34 |
| Complexity | 1176.5376 |
Chemical Identifiers
| CAS Number | 299451-40-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1MJ3GK (CAS 299451-40-4), with molecular formula C28H31NO5 and molecular weight 461.2202 g/mol. IUPAC: benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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