Basic information
- Standard SMILES
COC(=O)COc1ccc(-c2ccc3cc(C(=O)OCc4ccccc4)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
NLLMQVMJOWOIDM-UHFFFAOYSA-N- Molecular formula
- C37H36O5
- Average molar mass
- 560.7 g/mol
Names & identifiers
- Preferred name
- Benzyl 6-[3-(1-adamantyl)-4-methoxycarbonylmethyloxyphenyl]-2-naphthoate
- IUPAC
- benzyl 6-[3-(1-adamantyl)-4-(2-methoxy-2-oxoethoxy)phenyl]naphthalene-2-carboxylate
Names & synonyms
SCHEMBL8766335NLLMQVMJOWOIDM-UHFFFAOYSA-NBenzyl 6-[3-(1-adamantyl)-4-methoxycarbonylmethyloxyphenyl]-2-naphthoate
Database identifiers
- PubChem CID
- 19429712
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 913
Related reactions
3 records
Compound notes
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