2-Phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5772-06-5- Standard SMILES
COc1cccc(C2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC- InChIKey
IWOHESVEMXBEAE-UHFFFAOYSA-N- Molecular formula
- C29H33NO6
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.23078777
Names & identifiers
- Preferred name
- 2-Phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Names & synonyms
5772-06-52-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateST503010782-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateDTXSID90386628STK363464AKOS000657370AKOS0219875182-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateEU-0003352SR-01000417883SR-01000417883-1
Show more names
2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahy droquinoline-3-carboxylate
Database identifiers
- CAS
5772-06-5- PubChem CID
- 2867598
- DTXSID
DTXSID90386628
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 884
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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