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Basic information
- Standard SMILES
C=CCc1c(F)ccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3- InChIKey
MVACFYFKSYCGLF-UHFFFAOYSA-N- Molecular formula
- C19H22FNO3
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 8-Allyl-1-ethyl-7-fluoro-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid methyl ester
- IUPAC
- methyl 2-(1-ethyl-7-fluoro-8-prop-2-enyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
Names & synonyms
SCHEMBL8548224MVACFYFKSYCGLF-UHFFFAOYSA-N8-Allyl-1-ethyl-7-fluoro-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid methyl ester1-ethyl-7-fluoro-1,3,4,9-tetrahydro-8-(2-propenyl)-pyrano[3,4-b]indole-1-acetic acid, methyl ester
Database identifiers
- PubChem CID
- 14770010
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
7 records
Compound notes
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