Basic information
- Standard SMILES
CCOC(=O)CC(c1ccccc1)c1cc(OC)cc2[nH]ccc12- InChIKey
PWBRGASXTORBAH-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 3-(6-Methoxy-1H-Indol-4-yl)-3-phenyl-propionic acid ethyl ester
- IUPAC
- ethyl 3-(6-methoxy-1H-indol-4-yl)-3-phenylpropanoate
Names & synonyms
SCHEMBL2302650PWBRGASXTORBAH-UHFFFAOYSA-N3-(6-Methoxy-1H-Indol-4-yl)-3-phenyl-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 59831728
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
4 records
Compound notes
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