Basic information
- Standard SMILES
CCOC(=O)CC(c1ccccc1)c1cccc2[nH]cc(C#N)c12- InChIKey
XTWGNMQHKWEROK-UHFFFAOYSA-N- Molecular formula
- C20H18N2O2
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.13682782
Names & identifiers
- Preferred name
- 3-(3-cyano-1H-Indol-4-yl)-3-phenyl-propionic acid ethyl ester
- IUPAC
- ethyl 3-(3-cyano-1H-indol-4-yl)-3-phenylpropanoate
Names & synonyms
SCHEMBL2302612XTWGNMQHKWEROK-UHFFFAOYSA-N3-(3-cyano-1H-Indol-4-yl)-3-phenyl-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 67356038
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
Related reactions
7 records
Compound notes
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