Basic information
- Standard SMILES
Cc1c(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)OC(C)(C)C)c12- InChIKey
GESWXNPJLZLWTR-UHFFFAOYSA-N- Molecular formula
- C30H35BClF2NO6
- Average molar mass
- 589.9 g/mol
Names & identifiers
- Preferred name
- {8-Chloro-2-difluoromethoxy-4-methyl-3-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]quinolin-5-yloxy}acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[8-chloro-2-(difluoromethoxy)-4-methyl-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]quinolin-5-yl]oxyacetate
Names & synonyms
{8-chloro-2-difluoromethoxy-4-methyl-3-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]quinolin-5-yloxy}acetic acid tert-butyl esterSCHEMBL2574982
Database identifiers
- PubChem CID
- 67458465
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 881
Related reactions
12 records
Compound notes
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