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Basic information
- Standard SMILES
COC(=O)c1c(O)cccc1OCCCc1cccc(-c2cc(C(=O)O)no2)c1- InChIKey
QCMLXBZFQAPCSI-UHFFFAOYSA-N- Molecular formula
- C21H19NO7
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 5-{3-(3-(3-Hydroxy-2-methoxycarbonyl-phenoxy)-propyl)-phenyl}-isoxazole-3-carboxylic Acid
- IUPAC
- 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)propyl]phenyl]-1,2-oxazole-3-carboxylic acid
Names & synonyms
CHEMBL186989SCHEMBL5619856QCMLXBZFQAPCSI-UHFFFAOYSA-N5-{3-(3-(3-Hydroxy-2-methoxycarbonyl-phenoxy)-propyl)-phenyl}-isoxazole-3-carboxylic Acid
Database identifiers
- PubChem CID
- 10046342
- ChEMBL
CHEMBL186989
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Related reactions
1 records
Compound notes
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