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Basic information
- Standard SMILES
O=C(O)COc1cccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)c1- InChIKey
SEHZAKQLLNDUFC-UHFFFAOYSA-N- Molecular formula
- C26H21NO6
- Average molar mass
- 443.4 g/mol
Names & identifiers
- Preferred name
- {3-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetic acid
- IUPAC
- 2-[3-[(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)methyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL384781SEHZAKQLLNDUFC-UHFFFAOYSA-N{3-[(2'-oxo-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-1'(2'H)-yl)methyl]phenoxy}acetic acid
Database identifiers
- PubChem CID
- 45280397
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 774
Related reactions
3 records
Compound notes
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