Basic information
- Standard SMILES
CCOC(=O)CCc1cc(C(=O)c2cc(C(=O)CC(C)C)c[nH]2)ccc1OC(=O)CC(C)C- InChIKey
LVJFTIAOJKVZQX-UHFFFAOYSA-N- Molecular formula
- C26H33NO6
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-ethoxy-3-oxopropyl)-4-{[4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate
- IUPAC
- [2-(3-ethoxy-3-oxopropyl)-4-[4-(3-methylbutanoyl)-1H-pyrrole-2-carbonyl]phenyl] 3-methylbutanoate
Names & synonyms
SCHEMBL4285049LVJFTIAOJKVZQX-UHFFFAOYSA-N2-(3-ethoxy-3-oxopropyl)-4-{[4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate
Database identifiers
- PubChem CID
- 17816528
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
2 records
Compound notes
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