Basic information
- Standard SMILES
Cc1ccccc1C(CCC(=O)OC(C)(C)C)Oc1cc(OCc2cccnc2)ccc1C(=O)c1ccccc1- InChIKey
MCVJOPDZFFVLIX-UHFFFAOYSA-N- Molecular formula
- C34H35NO5
- Average molar mass
- 537.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[2-benzoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate
- IUPAC
- tert-butyl 4-[2-benzoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate
Names & synonyms
SCHEMBL7901183MCVJOPDZFFVLIX-UHFFFAOYSA-Nt-butyl 4-[2-benzoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoatetert-butyl 4-[2-benzoyl-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate
Database identifiers
- PubChem CID
- 22010469
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 788
Related reactions
4 records
Compound notes
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