Basic information
- Standard SMILES
CCOC(=O)C1=C(O)c2ccc(OCc3ccccc3)cc2CN1Cc1ccc(OC)cc1OC- InChIKey
QAUBYJOJNDSRFK-UHFFFAOYSA-N- Molecular formula
- C28H29NO6
- Average molar mass
- 475.5 g/mol
Names & identifiers
- Preferred name
- 7-Benzyloxy-2-(2,4-dimethoxy-benzyl)-4-hydroxy-1,2-dihydro-isoquinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-7-phenylmethoxy-1H-isoquinoline-3-carboxylate
Names & synonyms
SCHEMBL1657025QAUBYJOJNDSRFK-UHFFFAOYSA-N7-Benzyloxy-2-(2,4-dimethoxy-benzyl)-4-hydroxy-1,2-dihydro-isoquinoline-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67110484
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 720
Related reactions
7 records
Compound notes
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