Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(C(=O)O)c1cccc2cnccc12- InChIKey
KZSLZPNCXOQZQI-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
Names & identifiers
- Preferred name
- 4-tert-butoxy-2-(5-isoquinolinyl)-4-oxobutanoic Acid
- IUPAC
- 2-isoquinolin-5-yl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Names & synonyms
SCHEMBL4021310KZSLZPNCXOQZQI-UHFFFAOYSA-N581813-26-5DB-0874764-tert-butoxy-2-(5-isoquinolinyl)-4-oxobutanoic Acid
Database identifiers
- PubChem CID
- 22337571
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
8 records
Compound notes
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