{4-[(2'-oxo-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetic acid
Basic information
- Standard SMILES
O=C(O)COc1ccc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cc1- InChIKey
XPGMLMJHKUQLHK-UHFFFAOYSA-N- Molecular formula
- C26H21NO7
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.13180201
Names & identifiers
- Preferred name
- {4-[(2'-oxo-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetic acid
- IUPAC
- 2-[4-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL385622XPGMLMJHKUQLHK-UHFFFAOYSA-N{4-[(2'-oxo-2,3-dihydrospiro[furo[2,3-g][1,4]benzodioxine-8,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetic acid
Database identifiers
- PubChem CID
- 45280339
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 783
Related reactions
2 records
Compound notes
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