Basic information
- Standard SMILES
CC(C)CCOC(=O)CCc1cc(C(=O)c2cc(C(=O)CC(C)C)cn2CCC(C)C)ccc1OCCC(C)C- InChIKey
QVHVFKHOVNWMQF-UHFFFAOYSA-N- Molecular formula
- C34H51NO5
- Average molar mass
- 553.8 g/mol
- Monoisotopic mass
- 553.37672373
Names & identifiers
- Preferred name
- isopentyl 3-[5-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}-2-(isopentyloxy)phenyl]propanoate
- IUPAC
- 3-methylbutyl 3-[5-[4-(3-methylbutanoyl)-1-(3-methylbutyl)pyrrole-2-carbonyl]-2-(3-methylbutoxy)phenyl]propanoate
Names & synonyms
SCHEMBL4282167QVHVFKHOVNWMQF-UHFFFAOYSA-Nisopentyl 3-[5-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}-2-(isopentyloxy)phenyl]propanoate
Database identifiers
- PubChem CID
- 68985376
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 776
Related reactions
3 records
Compound notes
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