Basic information
- Standard SMILES
COCC1Cc2c(Oc3ccc(C(=O)N(C)C)cc3)cc(C(=O)OC(C)(C)C)cc2O1- InChIKey
LLKXATGMEZXOOA-UHFFFAOYSA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Names & identifiers
- Preferred name
- 4-(4-Dimethylcarbamoyl-phenoxy)-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(dimethylcarbamoyl)phenoxy]-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-6-carboxylate
Names & synonyms
SCHEMBL643760LLKXATGMEZXOOA-UHFFFAOYSA-N4-(4-Dimethylcarbamoyl-phenoxy)-2-methoxymethyl-2,3-dihydro-benzofuran-6-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59560296
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Related reactions
3 records
Compound notes
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