Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cc2c(cc1Cl)OCO2- InChIKey
BHXPJUFRRYZJHR-UHFFFAOYSA-N- Molecular formula
- C26H22ClNO5
- Average molar mass
- 463.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-benzyloxy-1-(2-chloro-4,5-methylenedioxybenzyl)indole-2-carboxylate
- IUPAC
- ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxyindole-2-carboxylate
Names & synonyms
SCHEMBL8385275BHXPJUFRRYZJHR-UHFFFAOYSA-Nethyl 5-benzyloxy-1-(2-chloro-4,5-methylenedioxybenzyl)indole-2-carboxylate
Database identifiers
- PubChem CID
- 15433189
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 659
Related reactions
1 records
Compound notes
Loading…