Basic information
- Standard SMILES
COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(OC(C)=O)cc1)CC2- InChIKey
NSJKEHBTBWYTRT-UHFFFAOYSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- N-(4-acetoxyphenylacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
- IUPAC
- [4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl] acetate
Names & synonyms
SCHEMBL10660418NSJKEHBTBWYTRT-UHFFFAOYSA-NN-(4-acetoxyphenylacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
Database identifiers
- PubChem CID
- 21295827
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 517
Related reactions
2 records
Compound notes
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