Basic information
- Standard SMILES
CCOC(=O)CC1C2CCCCC2CN1C(=O)c1ccccc1-c1ccccc1- InChIKey
UWDJCSNHGDKUNW-UHFFFAOYSA-N- Molecular formula
- C25H29NO3
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(2-(biphenylcarbonyl)octahydro-1H-isoindol-1-yl)acetate
- IUPAC
- ethyl 2-[2-(2-phenylbenzoyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]acetate
Names & synonyms
SCHEMBL15175738UWDJCSNHGDKUNW-UHFFFAOYSA-NEthyl 2-(2-(biphenylcarbonyl)octahydro-1H-isoindol-1-yl)acetate
Database identifiers
- PubChem CID
- 89740940
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 570
Related reactions
1 records
Compound notes
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