Basic information
- Standard SMILES
COc1ccc2c(c1)C(c1ccccc1)C(O)(C1CCN(C(=O)OCc3ccccc3)CC1)N(C)C2=O- InChIKey
RVCNCOUXYDRLRE-UHFFFAOYSA-N- Molecular formula
- C30H32N2O5
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- Benzyl-4-(3-hydroxy-6-methoxy-2-methyl-1-oxo-4-phenyl-1,2,3,4-tetra-hydroisoquinolin-3-yl)piperidine-1-carboxylate
- IUPAC
- benzyl 4-(3-hydroxy-6-methoxy-2-methyl-1-oxo-4-phenyl-4H-isoquinolin-3-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL2900578RVCNCOUXYDRLRE-UHFFFAOYSA-Nbenzyl-4-(3-hydroxy-6-methoxy-2-methyl-1-oxo-4-phenyl-1,2,3,4-tetra-hydroisoquinolin-3-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68433490
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 787
Related reactions
3 records
Compound notes
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