Basic information
- Standard SMILES
CCCCOC(=O)c1nc(Oc2ccc(NC(C)=O)cc2)c2ccccc2c1OC(C)=O- InChIKey
UPABMWPGTVXHRF-UHFFFAOYSA-N- Molecular formula
- C24H24N2O6
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 4-Acetoxy-1-(4-acetylamino-phenoxy)-isoquinoline-3-carboxylic acid butyl ester
- IUPAC
- butyl 1-(4-acetamidophenoxy)-4-acetyloxyisoquinoline-3-carboxylate
Names & synonyms
SCHEMBL522938UPABMWPGTVXHRF-UHFFFAOYSA-N4-Acetoxy-1-(4-acetylamino-phenoxy)-isoquinoline-3-carboxylic acid butyl ester
Database identifiers
- PubChem CID
- 66712955
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
Related reactions
16 records
Compound notes
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