Basic information
- Standard SMILES
CCOC(=O)CCCc1ccc(N2Cc3ccccc3C2=O)cc1- InChIKey
QRPQKGYEMMAMOL-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(1-Oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-butyric acid ethyl ester
- IUPAC
- ethyl 4-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoate
Names & synonyms
SCHEMBL1467580QRPQKGYEMMAMOL-UHFFFAOYSA-N4-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 67044952
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
1 records
Compound notes
Loading…