Basic information
- CAS
911-70-6- Standard SMILES
CCOC(=O)c1[nH]c(Cc2[nH]c(C)c(C(=O)OCC)c2C)c(C(=O)OCC)c1C- InChIKey
CAZUSSXUXQVUKY-UHFFFAOYSA-N- Molecular formula
- C21H28N2O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.19473662
Names & identifiers
- Preferred name
- Diethyl 5-((4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
- IUPAC
- diethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
911-70-6Diethyl 5-((4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylatediethyl 5-{[4-(ethoxycarbonyl)-3,5-dimethyl-1h-pyrrol-2-yl]methyl}-3-methyl-1h-pyrrole-2,4-dicarboxylateNSC13442DTXSID30279626NSC-13442
Database identifiers
- CAS
911-70-6- PubChem CID
- 224722
- DTXSID
DTXSID30279626
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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