Basic information
- Standard SMILES
CCOC(=O)CCc1cc(C(=O)c2cc(C(=O)CC(C)C)cn2CCC(C)C)ccc1OC(=O)CC(C)C- InChIKey
BVYANLXJXBNCGC-UHFFFAOYSA-N- Molecular formula
- C31H43NO6
- Average molar mass
- 525.7 g/mol
Names & identifiers
- Preferred name
- 2-(3-ethoxy-3-oxopropyl)-4-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate
- IUPAC
- [2-(3-ethoxy-3-oxopropyl)-4-[4-(3-methylbutanoyl)-1-(3-methylbutyl)pyrrole-2-carbonyl]phenyl] 3-methylbutanoate
Names & synonyms
SCHEMBL4278997BVYANLXJXBNCGC-UHFFFAOYSA-N2-(3-ethoxy-3-oxopropyl)-4-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate
Database identifiers
- PubChem CID
- 17816472
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 791
Related reactions
3 records
Compound notes
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