RefChem:1068773
ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_017993|Oprea1_851304|CBDivE_011639|IFLab1_004002|ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|BAS 01039413|5-22-06-00426 (Beilstein Handbook Reference)|J2.143.453A|AG-690/36631024|ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate|SR-01000396842-1|F0896-0078|1,4,5,6,7,8-Hexahydro-5-oxo-4-phenyl-2,7,7-trimethyl-3-quinolinecarboxylic acid ethyl ester|3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenyl-, ethyl ester|3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-phenyl-2,7,7-trimethyl-, ethyl ester|ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|ethyl 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-phenyl-5-oxoquinoline-3-carboxylate|ethyl-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-phenylquinoline-3-carboxylate|1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-phenyl-5-oxo-3-quinolinecarboxylic acid ethyl ester|1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-4-phenyl-5-oxoquinoline-3-carboxylic acid ethyl ester|1,4,5,6,7,8-Hexahydro-2,7,7-trimethyl-5-oxo-4-phenylquinoline-3-carboxylic acid ethyl ester|2,7,7-Trimethyl-4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester|4-Phenyl-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7,7-dimethylquinoline-3-carboxylic acid ethyl ester|4-Phenyl-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester|4-Phenyl-5-oxo-2,7,7-trimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester|7,7-Dimethyl-4-phenyl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18344 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.18344 |
| Monoisotopic Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 13337-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C |
| InChIKey | BHUYANTVBSTZDM-UHFFFAOYSA-N |
Product Overview
RefChem:1068773 (CAS 13337-64-9), with molecular formula C21H25NO3 and molecular weight 339.18344 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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