Basic information
- Standard SMILES
COC(=O)CC(C)(C)C1CC(c2ccc(OCc3cc(C)nc4ccccc34)cc2)=NO1- InChIKey
WHRJRKLWJRNJCO-UHFFFAOYSA-N- Molecular formula
- C26H28N2O4
- Average molar mass
- 432.5 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-butyric acid methyl ester
- IUPAC
- methyl 3-methyl-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]butanoate
Names & synonyms
SCHEMBL6023102WHRJRKLWJRNJCO-UHFFFAOYSA-N3-methyl-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-butyric acid methyl ester
Database identifiers
- PubChem CID
- 69639772
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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