Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)c(C#N)n1N- InChIKey
OSKKPSRLALYGEJ-UHFFFAOYSA-N- Molecular formula
- C21H19N3O3
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-amino-4-[3-(benzyloxy)phenyl]-5-cyano-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 1-amino-5-cyano-4-(3-phenylmethoxyphenyl)pyrrole-2-carboxylate
Names & synonyms
SCHEMBL5080258OSKKPSRLALYGEJ-UHFFFAOYSA-NEthyl 1-amino-4-[3-(benzyloxy)phenyl]-5-cyano-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 58529622
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
3 records
Compound notes
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