Basic information
- CAS
883792-41-4- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OC)c(Cl)c1- InChIKey
VOBQBCQTHUMZNC-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO4
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.155036
Names & identifiers
- Preferred name
- Ethyl 4-(3-chloro-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-(3-chloro-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Names & synonyms
AKOS024325497ETHYL 4-(3-CHLORO-4-METHOXYPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
Database identifiers
- CAS
883792-41-4- PubChem CID
- 4986550
- EC Number
- 146-407-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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