Basic information
- Standard SMILES
CCOCn1c(C)c(C(=O)OCC)c(-c2ccccc2)c1C(=O)OCC- InChIKey
GBSHUOKHVAOJGQ-UHFFFAOYSA-N- Molecular formula
- C20H25NO5
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 1-(ethoxymethyl)-5-methyl-3-phenyl-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 1-(ethoxymethyl)-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
Names & synonyms
SCHEMBL1126814GBSHUOKHVAOJGQ-UHFFFAOYSA-Ndiethyl 1-(ethoxymethyl)-5-methyl-3-phenyl-1H-pyrrole-2,4-dicarboxylate1192718-63-0DB-220343diethyl 1-(ethoxymethyl)-5-methyl-3-phenyl-pyrrole-2,4-dicarboxylate
Database identifiers
- PubChem CID
- 66914830
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
1 records
Compound notes
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