Basic information
- Standard SMILES
CCOc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1OCC- InChIKey
YSVIGFUSBHVXQF-UHFFFAOYSA-N- Molecular formula
- C24H27NO5
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 2-(7-(3,4-Diethoxybenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
- IUPAC
- 2-[6-[(3,4-diethoxyphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Names & synonyms
SCHEMBL2015932YSVIGFUSBHVXQF-UHFFFAOYSA-N2-(7-(3,4-Diethoxybenzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
Database identifiers
- PubChem CID
- 58329575
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
3 records
Compound notes
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