Basic information
- Standard SMILES
CCOC(=O)Cn1c2c(c3cc(OC)c(OC)cc31)CC(OC(=O)c1ccccc1)CC2- InChIKey
RCQZUEKKZOKWQL-UHFFFAOYSA-N- Molecular formula
- C25H27NO6
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.18383758
Names & identifiers
- Preferred name
- 3-Benzoyloxy-6,7-dimethoxy-9-carbethoxymethyl-1,2,3,4-tetrahydrocarbazole
- IUPAC
- [9-(2-ethoxy-2-oxoethyl)-6,7-dimethoxy-1,2,3,4-tetrahydrocarbazol-3-yl] benzoate
Names & synonyms
SCHEMBL7411899RCQZUEKKZOKWQL-UHFFFAOYSA-N3-benzoyloxy-6,7-dimethoxy-9-carbethoxymethyl-1,2,3,4-tetrahydrocarbazole
Database identifiers
- PubChem CID
- 12891850
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
5 records
Compound notes
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