Basic information
- Standard SMILES
CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(C(CC)C(=O)[O-])cc1)C2- InChIKey
YPQXLTHTXKMREG-UHFFFAOYSA-M- Molecular formula
- C26H28NO4-
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.20183337
Names & identifiers
- Preferred name
- 2-[4-(4,9-Diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate
- IUPAC
- 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate
Database identifiers
- PubChem CID
- 21079375
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 554
Related reactions
1 records
Compound notes
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