Methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5717-33-9- Standard SMILES
CCOc1cc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)ccc1O- InChIKey
YONKKIDANWWMTE-UHFFFAOYSA-N- Molecular formula
- C26H27NO5
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.18892296
Names & identifiers
- Preferred name
- Methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5717-33-9methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateST50724641methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_000159Oprea1_595839DTXSID70386500STK402450AKOS000658663AKOS021987880methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateEU-0070207
Show more names
AB00094534-01SR-01000420816SR-01000420816-1methyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahyd roquinoline-3-carboxylate
Database identifiers
- CAS
5717-33-9- PubChem CID
- 2864262
- DTXSID
DTXSID70386500
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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