Basic information
- Standard SMILES
CCCCOC(=O)c1nc(CC(C)C)c2ccccc2c1OCc1ccccc1- InChIKey
ZJRAQAQRIMUVDT-UHFFFAOYSA-N- Molecular formula
- C25H29NO3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.21474379
Names & identifiers
- Preferred name
- 4-Benzyloxy-1-isobutyl-isoquinoline-3-carboxylic acid butyl ester
- IUPAC
- butyl 1-(2-methylpropyl)-4-phenylmethoxyisoquinoline-3-carboxylate
Names & synonyms
SCHEMBL523844ZJRAQAQRIMUVDT-UHFFFAOYSA-N4-Benzyloxy-1-isobutyl-isoquinoline-3-carboxylic acid butyl ester
Database identifiers
- PubChem CID
- 66713262
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 488
Related reactions
17 records
Compound notes
Loading…