[4-(4,9-diethoxy-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetic Acid
Basic information
- Standard SMILES
CCOc1c2c(c(OCC)c3ccccc13)CN(c1ccc(CC(=O)O)cc1)C2- InChIKey
BJIFWRCDSZFABA-UHFFFAOYSA-N- Molecular formula
- C24H25NO4
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- [4-(4,9-diethoxy-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetic Acid
- IUPAC
- 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]acetic acid
Names & synonyms
CHEMBL4226984SCHEMBL3574279BJIFWRCDSZFABA-UHFFFAOYSA-NBDBM50461453[4-(4,9-diethoxy-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]acetic Acid
Database identifiers
- PubChem CID
- 21079276
- ChEMBL
CHEMBL4226984
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
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Related reactions
3 records
Compound notes
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