Basic information
- Standard SMILES
Cc1c(N2CC3C(OC(=O)c4ccccc4)CCC3C2=O)ccc(C#N)c1Cl- InChIKey
CSRJCIIORXKXNC-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O3
- Average molar mass
- 394.8 g/mol
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-cyano-2-methylphenyl)-1-oxo-octahydrocyclopenta[c]-pyrrol-4-yl benzoate
- IUPAC
- [2-(3-chloro-4-cyano-2-methylphenyl)-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-6-yl] benzoate
Names & synonyms
SCHEMBL3279273CSRJCIIORXKXNC-UHFFFAOYSA-N2-(3-Chloro-4-cyano-2-methylphenyl)-1-oxo-octahydrocyclopenta[c]-pyrrol-4-yl benzoate
Database identifiers
- PubChem CID
- 59259573
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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